1     ***** H-F-S MOLECULAR CALCULATION FOR  MOMOLECULE *****


          SCCS OF QGRN STATE
          FILE NO.
          IOUT,IEIG,ITP,IYL,ISAV,IPUN,IFL1,IFL2,IFL3,IFL4,IFL5,IFL6,JFL1,JFL2,JFL3,JFL4,JFL6,JFL7,JFL8
             8   9  15  12  16   17   14   25   27   36    8    8    5    3   26   32   11   35   21


          NO. OF MESH POINTS =  300      NO. OF D-V SAMPLING POINTS =     76000       NCYCLE = 10


           MOLECULE CONTAINS  38 ATOMS CONSIST OF  10 DIFFERENT ATOMS
          CLUSTER CONSIST OF  38 AND  10 DIFFERENT ATOMS
           NO OF CORE USED IS   30


              1 ATOMS OF  B H              3 ATOMS OF  N H              6 ATOMS OF  B H              3 ATOMS OF  N H
              6 ATOMS OF  N H              1 ATOMS OF  N H              3 ATOMS OF  B H              6 ATOMS OF  N H
              3 ATOMS OF  B H              6 ATOMS OF  B H


              1 TH  ATOM   ND =  1              2 TH  ATOM   ND =  2              3 TH  ATOM   ND =  2
              4 TH  ATOM   ND =  2              5 TH  ATOM   ND =  3              6 TH  ATOM   ND =  3
              7 TH  ATOM   ND =  3              8 TH  ATOM   ND =  3              9 TH  ATOM   ND =  3
             10 TH  ATOM   ND =  3             11 TH  ATOM   ND =  4             12 TH  ATOM   ND =  4
             13 TH  ATOM   ND =  4             14 TH  ATOM   ND =  5             15 TH  ATOM   ND =  5
             16 TH  ATOM   ND =  5             17 TH  ATOM   ND =  5             18 TH  ATOM   ND =  5
             19 TH  ATOM   ND =  5             20 TH  ATOM   ND =  6             21 TH  ATOM   ND =  7
             22 TH  ATOM   ND =  7             23 TH  ATOM   ND =  7             24 TH  ATOM   ND =  8
             25 TH  ATOM   ND =  8             26 TH  ATOM   ND =  8             27 TH  ATOM   ND =  8
             28 TH  ATOM   ND =  8             29 TH  ATOM   ND =  8             30 TH  ATOM   ND =  9
             31 TH  ATOM   ND =  9             32 TH  ATOM   ND =  9             33 TH  ATOM   ND = 10
             34 TH  ATOM   ND = 10             35 TH  ATOM   ND = 10             36 TH  ATOM   ND = 10
             37 TH  ATOM   ND = 10             38 TH  ATOM   ND = 10


          FOLLOWING ATOMS USED FOR M.O. CALCULATION


           B HFS ATOM CALC.                       

              1  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  5.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           N HFS ATOM CALC.                       

              2  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  7.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           B HFS ATOM CALC.                       

              3  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  5.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           N HFS ATOM CALC.                       

              4  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  7.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           N HFS ATOM CALC.                       

              5  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  7.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           N HFS ATOM CALC.                       

              6  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  7.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           B HFS ATOM CALC.                       

              7  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  5.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           N HFS ATOM CALC.                       

              8  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  7.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           B HFS ATOM CALC.                       

              9  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  5.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           B HFS ATOM CALC.                       

             10  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  5.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


          FOLLOWING CORES USED

              1    LOCOR =  1    NNLZ = 100    NO.OF ELECTRONS =   2.00075
              2    LOCOR =  1    NNLZ = 200    NO.OF ELECTRONS =   0.59737
              3    LOCOR =  1    NNLZ = 210    NO.OF ELECTRONS =   1.67283
              4    LOCOR =  2    NNLZ = 100    NO.OF ELECTRONS =   2.00003
              5    LOCOR =  2    NNLZ = 200    NO.OF ELECTRONS =   1.54955
              6    LOCOR =  2    NNLZ = 210    NO.OF ELECTRONS =   4.24251
              7    LOCOR =  3    NNLZ = 100    NO.OF ELECTRONS =   2.00071
              8    LOCOR =  3    NNLZ = 200    NO.OF ELECTRONS =   0.43807
              9    LOCOR =  3    NNLZ = 210    NO.OF ELECTRONS =   1.55512
             10    LOCOR =  4    NNLZ = 100    NO.OF ELECTRONS =   1.99982
             11    LOCOR =  4    NNLZ = 200    NO.OF ELECTRONS =   1.69867
             12    LOCOR =  4    NNLZ = 210    NO.OF ELECTRONS =   4.99526
             13    LOCOR =  5    NNLZ = 100    NO.OF ELECTRONS =   1.99993
             14    LOCOR =  5    NNLZ = 200    NO.OF ELECTRONS =   1.87569
             15    LOCOR =  5    NNLZ = 210    NO.OF ELECTRONS =   5.16134
             16    LOCOR =  6    NNLZ = 100    NO.OF ELECTRONS =   2.00009
             17    LOCOR =  6    NNLZ = 200    NO.OF ELECTRONS =   1.54255
             18    LOCOR =  6    NNLZ = 210    NO.OF ELECTRONS =   4.20361
             19    LOCOR =  7    NNLZ = 100    NO.OF ELECTRONS =   2.00042
             20    LOCOR =  7    NNLZ = 200    NO.OF ELECTRONS =   0.57234
             21    LOCOR =  7    NNLZ = 210    NO.OF ELECTRONS =   1.61277
             22    LOCOR =  8    NNLZ = 100    NO.OF ELECTRONS =   2.00005
             23    LOCOR =  8    NNLZ = 200    NO.OF ELECTRONS =   1.61525
             24    LOCOR =  8    NNLZ = 210    NO.OF ELECTRONS =   4.28437
             25    LOCOR =  9    NNLZ = 100    NO.OF ELECTRONS =   2.00085
             26    LOCOR =  9    NNLZ = 200    NO.OF ELECTRONS =   0.43113
             27    LOCOR =  9    NNLZ = 210    NO.OF ELECTRONS =   0.97628
             28    LOCOR = 10    NNLZ = 100    NO.OF ELECTRONS =   2.00071
             29    LOCOR = 10    NNLZ = 200    NO.OF ELECTRONS =   0.21041
             30    LOCOR = 10    NNLZ = 210    NO.OF ELECTRONS =   0.81565


           ABOVE DATA USED FOR STARTING POINT AND DIMENSIONS  CHECKED *****
1  AT THE BEGINING OF SYMTRY
 NO. OF SYMMETRY BLOCKS =    0


 ISYML (  1 ) =   1      JSYML (  1 ) =   1



                 
 NO. OF SYMMETRY ORBITALS =  190 NO. OF ATOMI C ORBITALS =  190 AND MM =  190



 NO. OF  SYMMETRY BLOCKS USED =    1
1THE NUMBER OF ATOMIC ORBITALS =  190


  AT THE END OF SYMTRY
1

          ATOM POSITIONS IN THE CLUSTER(A.U.)

       X            Y            Z           TICK         ALF           R0          ATOM

      0.00000      0.00000      0.00000                                              B H USE POTENTIAL
+                                             0.02549      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -1.34416      0.00000                                              N H USE POTENTIAL
+                                             0.05263      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -1.34416      0.00000                                              N H USE POTENTIAL
+                                             0.07977      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000      2.68831      0.00000                                              N H USE POTENTIAL
+                                             0.10691      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      0.00000      0.00000                                              B H USE POTENTIAL
+                                             0.13240      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      0.00000      0.00000                                              B H USE POTENTIAL
+                                             0.15789      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      4.03247      0.00000                                              B H USE POTENTIAL
+                                             0.18339      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -4.03247      0.00000                                              B H USE POTENTIAL
+                                             0.20888      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      4.03247      0.00000                                              B H USE POTENTIAL
+                                             0.23437      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -4.03247      0.00000                                              B H USE POTENTIAL
+                                             0.25987      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000     -5.37661      0.00000                                              N H USE POTENTIAL
+                                             0.28700      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      2.68831      0.00000                                              N H USE POTENTIAL
+                                             0.31414      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      2.68831      0.00000                                              N H USE POTENTIAL
+                                             0.34128      1.00000      1.50000                            AND WAVE FUNCTIONS
      6.98443     -1.34416      0.00000                                              N H USE POTENTIAL
+                                             0.36842      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629     -5.37661      0.00000                                              N H USE POTENTIAL
+                                             0.39556      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629     -5.37661      0.00000                                              N H USE POTENTIAL
+                                             0.42270      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      6.72078      0.00000                                              N H USE POTENTIAL
+                                             0.44984      1.00000      1.50000                            AND WAVE FUNCTIONS
     -6.98443     -1.34416      0.00000                                              N H USE POTENTIAL
+                                             0.47698      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      6.72078      0.00000                                              N H USE POTENTIAL
+                                             0.50412      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000      0.00000      6.34098                                              N H USE POTENTIAL
+                                             0.53125      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      1.34416      6.34098                                              B H USE POTENTIAL
+                                             0.55675      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000     -2.68831      6.34098                                              B H USE POTENTIAL
+                                             0.58224      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      1.34416      6.34098                                              B H USE POTENTIAL
+                                             0.60773      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      0.00000      6.34098                                              N H USE POTENTIAL
+                                             0.63487      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      0.00000      6.34098                                              N H USE POTENTIAL
+                                             0.66201      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      4.03247      6.34098                                              N H USE POTENTIAL
+                                             0.68915      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -4.03247      6.34098                                              N H USE POTENTIAL
+                                             0.71629      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      4.03247      6.34098                                              N H USE POTENTIAL
+                                             0.74343      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -4.03247      6.34098                                              N H USE POTENTIAL
+                                             0.77057      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000      5.37661      6.34098                                              B H USE POTENTIAL
+                                             0.79606      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629     -2.68831      6.34098                                              B H USE POTENTIAL
+                                             0.82155      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629     -2.68831      6.34098                                              B H USE POTENTIAL
+                                             0.84704      1.00000      1.50000                            AND WAVE FUNCTIONS
     -6.98443      1.34416      6.34098                                              B H USE POTENTIAL
+                                             0.87254      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      5.37661      6.34098                                              B H USE POTENTIAL
+                                             0.89803      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -6.72078      6.34098                                              B H USE POTENTIAL
+                                             0.92352      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      5.37661      6.34098                                              B H USE POTENTIAL
+                                             0.94901      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -6.72078      6.34098                                              B H USE POTENTIAL
+                                             0.97451      1.00000      1.50000                            AND WAVE FUNCTIONS
      6.98443      1.34416      6.34098                                              B H USE POTENTIAL
+                                             1.00000      1.00000      1.50000                            AND WAVE FUNCTIONS


          VECBAS =    0.1414213562E+01    0.1732050808E+01    0.2236067977E+01


          * MADELUNG POTENTIAL IS ADDED


     NO.OF ATOMS IN UNIT CELL =    8
     POSITIONS AND CHARGES OF ATOMS

              1     0.00000   0.00000   0.00000  (  1)     CHARGE=   3.00000
              2     0.50000   0.50000   0.00000  (  1)     CHARGE=   3.00000
              3     0.00000   0.33333   0.00000  (  2)     CHARGE=  -3.00000
              4     0.50000   0.83333   0.00000  (  2)     CHARGE=  -3.00000
              5     0.00000   0.00000   0.50000  (  2)     CHARGE=  -3.00000
              6     0.50000   0.50000   0.50000  (  2)     CHARGE=  -3.00000
              7     0.00000   0.66667   0.50000  (  1)     CHARGE=   3.00000
              8     0.50000   0.16667   0.50000  (  1)     CHARGE=   3.00000

     LATTICE CONST. =   4.65629   8.06494  12.68196
     ORIGIN OF LATTICE =   0.00000   0.00000   0.00000
     LIMIT OF LATTICE =   3.00000   3.00000   3.00000

     LATTICE IS EXPANDED TO    3    3    3 UNIT VECTORS

     No.of Lattice Sites =      2081
     No.of Deleted Sites on Cluster Atom Sites =        38

     No.of Sites on Lattice Plain  =       606
     No.of Sites on Lattice Edge   =       108
     No.of Sites on Lattice Corner =         8

  Cluster Sites Only

     Total Charge   =   0.00000
     q/r            =  -4.09986
     Dipole      Dx =    0.00000E+00  Dy =   -0.51213E-08  Dz =    0.50333E+02
                 Total =    0.50333E+02
     Quadropole  Qxx=   -0.18492E-14  Qyy=   -0.23470E-13  Qzz=    0.16889E+03
                 Qxy=    0.44886E-15  Qyz=   -0.34369E-07  Qzx=   -0.32058E-14
                 Total =    0.16889E+03

  Madelung Sites + Cluster Atom Sites

     Total Charge   =   0.00000
     q/r            =  -3.25212
     Dipole      Dx =   -0.17053E-12  Dy =   -0.92184E+03  Dz =   -0.27534E-13
                 Total =   -0.92184E+03
     Quadropole  Qxx=    0.33519E-11  Qyy=    0.39335E-06  Qzz=    0.46664E-09
                 Qxy=   -0.13069E-11  Qyz=   -0.28943E-12  Qzx=   -0.15242E-12
                 Total =    0.39382E-06

1  AT THE BEGINING OF ATCALC
  ATOM CHARGE FOR ATOM  1
  ATOM CHARGE FOR ATOM  2
  ATOM CHARGE FOR ATOM  3
  ATOM CHARGE FOR ATOM  4
  ATOM CHARGE FOR ATOM  5
  ATOM CHARGE FOR ATOM  6
  ATOM CHARGE FOR ATOM  7
  ATOM CHARGE FOR ATOM  8
  ATOM CHARGE FOR ATOM  9
  ATOM CHARGE FOR ATOM 10


     ATOM CHARGE CALC. END 
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0   10    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.32317E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67427 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215248932E+03   -0.1298789073E-03    0.0000000000E+00


              2   E=       -2.37571 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88649E+00   0.10000E+01   0.15941E+01   0.29140E+01   0.13198E+02   0.84384E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895711944E+02   -0.8993095657E-05    0.0000000000E+00


              3   E=       -2.14051 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86993E+00   0.80432E+00   0.10000E+01   0.15351E+01   0.27652E+01   0.12921E+02   0.88476E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216272485E-04   -0.4636441716E-11   -0.4298165888E-10


 ***TOTAL****    0.2352732141E+01    0.2339965820E+01   -0.7190100842E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25584 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654896E+04   -0.3695709187E-03    0.0000000000E+00


              2   E=       -2.04959 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74933E+01   0.41758E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926988436E+02   -0.1850910315E-04    0.0000000000E+00


              3   E=       -1.61825 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72266E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804074198E-03   -0.1987938785E-10   -0.1843786879E-09


 ***TOTAL****    0.2353426990E+01    0.2339965820E+01   -0.7822284270E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86037 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117513E+03   -0.1300289175E-03    0.0000000000E+00


              2   E=       -2.51057 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12514E+02   0.77638E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002136355E+02   -0.9323616134E-05    0.0000000000E+00


              3   E=       -2.27839 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15501E+01   0.90161E+00   0.81928E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79019E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495078158E-04   -0.4943032211E-11   -0.4582387566E-10


 ***TOTAL****    0.2352731514E+01    0.2339965820E+01   -0.7126162551E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73948 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468746E+04   -0.3695134283E-03    0.0000000000E+00


              2   E=       -1.60346 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90389E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452568649E+02   -0.1702755538E-04    0.0000000000E+00


              3   E=       -1.18084 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541177393E-03   -0.1698248189E-10   -0.1575102644E-09


 ***TOTAL****    0.2353431468E+01    0.2339965820E+01   -0.7868047234E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239372E+04   -0.3694425873E-03    0.0000000000E+00


              2   E=       -1.44292 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294539356E+02   -0.1653405156E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287896E-03   -0.1600299300E-10   -0.1484256334E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660751586E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28391 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664684E+04   -0.3695739416E-03    0.0000000000E+00


              2   E=       -2.07338 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20554E+01   0.74215E+01   0.41111E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953772900E+02   -0.1859274740E-04    0.0000000000E+00


              3   E=       -1.64171 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13387E+01   0.96238E+00   0.10000E+01   0.13644E+01   0.22877E+01   0.10127E+02   0.70517E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818837130E-03   -0.2004206322E-10   -0.1858874806E-09


 ***TOTAL****    0.2353426178E+01    0.2339965820E+01   -0.7813984722E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73187 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586730E+03   -0.1299201274E-03    0.0000000000E+00


              2   E=       -2.41739 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32703E+01   0.89093E+00   0.10000E+01   0.15877E+01   0.28904E+01   0.12977E+02   0.82184E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928861941E+02   -0.9096048980E-05    0.0000000000E+00


              3   E=       -2.18309 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87985E+00   0.80903E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12620E+02   0.85357E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302649385E-04   -0.4731426626E-11   -0.4386220704E-10


 ***TOTAL****    0.2352731002E+01    0.2339965820E+01   -0.7073965164E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18960 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534469E+04   -0.3695337257E-03    0.0000000000E+00


              2   E=       -1.99371 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76662E+01   0.43334E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864890691E+02   -0.1831518007E-04    0.0000000000E+00


              3   E=       -1.56327 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30458E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10679E+02   0.76603E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769910453E-03   -0.1950293133E-10   -0.1808871026E-09


 ***TOTAL****    0.2353419905E+01    0.2339965820E+01   -0.7749872756E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28116 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228694695E+03   -0.1302931954E-03    0.0000000000E+00


              2   E=       -2.80585 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35948E+01   0.93289E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250219176E+02   -0.1009408289E-04    0.0000000000E+00


              3   E=       -2.58283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97683E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61875E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195210875E-04   -0.5712937807E-11   -0.5296120919E-10


 ***TOTAL****    0.2352712330E+01    0.2339965820E+01   -0.5170496930E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56584 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238217797E+03   -0.1305866198E-03    0.0000000000E+00


              2   E=       -2.99747 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95379E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416430527E+02   -0.1061028430E-04    0.0000000000E+00


              3   E=       -2.78191 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23322E+01   0.92215E+01   0.53310E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706090724E-04   -0.6274730711E-11   -0.5816925531E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744575309E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   1TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59737        0.59732        0.59732
    3    1  210        1.67283        1.67274        1.67274
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54955        4.64873        1.54958
    6    2  210        4.24251       12.72781        4.24260
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43807        2.62830        0.43805
    9    3  210        1.55512        9.33047        1.55508
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69867        5.09604        1.69868
   12    4  210        4.99526       14.98589        4.99530
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25416        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54255        1.54258        1.54258
   18    6  210        4.20361        4.20372        4.20372
   19    7  100        2.00042        6.00126        2.00042
   20    7  200        0.57234        1.71692        0.57231
   21    7  210        1.61277        4.83809        1.61270
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61525        9.69161        1.61527
   24    8  210        4.28437       25.70657        4.28443
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43113        1.29332        0.43111
   27    9  210        0.97628        2.92877        0.97626
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21041        1.26241        0.21040
   30   10  210        0.81565        4.89385        0.81564



     M,D,TOLM =   30   0.224204-301   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666516E+02 0.666515E+02 0.477208E-04 0.953895E-09 0.953132E-09 0.799800E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.106854E-03 0.523116E-09 0.523489E-09 0.711365E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663990E+02 0.663989E+02 0.403409E-04 0.515469E-09 0.515256E-09 0.412685E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.101135E-03 0.648568E-09 0.648811E-09 0.375250E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.184045E+03 0.184045E+03 0.790161E-04 0.860551E-09 0.860609E-09 0.678177E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.100228E-03 0.460970E-09 0.461367E-09 0.860088E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667837E+02 0.667836E+02 0.453078E-04 0.781964E-09 0.781445E-09 0.663664E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.103360E-03 0.697469E-09 0.697787E-09 0.456786E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666042E+02 0.666041E+02 0.312074E-04 0.626679E-09 0.626500E-09 0.285785E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.592922E+02 0.592922E+02 0.239459E-04 0.590043E-09 0.589968E-09 0.127510E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93792   2.00000
    2    2               -28.44310    -14.22155   -386.92657   2.00000
    3    3               -28.12278    -14.06139   -382.56907   2.00000
    4    4               -28.12275    -14.06138   -382.56868   2.00000
    5    5               -28.10843    -14.05421   -382.37386   2.00000
    6    6               -27.95984    -13.97992   -380.35254   2.00000
    7    7               -27.95941    -13.97970   -380.34666   2.00000
    8    8               -27.64835    -13.82418   -376.11522   2.00000
    9    9               -27.64830    -13.82415   -376.11452   2.00000
   10   10               -27.63430    -13.81715   -375.92402   2.00000
   11   11               -27.63411    -13.81706   -375.92151   2.00000
   12   12               -27.59536    -13.79768   -375.39425   2.00000
   13   13               -27.17355    -13.58677   -369.65618   2.00000
   14   14               -27.17325    -13.58662   -369.65212   2.00000
   15   15               -27.15583    -13.57791   -369.41510   2.00000
   16   16               -27.15037    -13.57518   -369.34081   2.00000
   17   17               -27.14979    -13.57490   -369.33302   2.00000
   18   18               -27.00378    -13.50189   -367.34673   2.00000
   19   19               -27.00353    -13.50177   -367.34338   2.00000
   20   20               -13.34810     -6.67405   -181.58129   2.00000
   21   21               -13.34771     -6.67385   -181.57592   2.00000
   22   22               -13.10310     -6.55155   -178.24844   2.00000
   23   23               -13.10285     -6.55143   -178.24507   2.00000
   24   24               -13.03176     -6.51588   -177.27788   2.00000
   25   25               -13.03159     -6.51580   -177.27568   2.00000
   26   26               -13.02076     -6.51038   -177.12824   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75546   2.00000
   29   29               -12.55226     -6.27613   -170.75502   2.00000
   30   30               -12.54656     -6.27328   -170.67752   2.00000
   31   31               -12.54617     -6.27309   -170.67222   2.00000
   32   32               -12.40086     -6.20043   -168.69545   2.00000
   33   33               -12.40069     -6.20034   -168.69313   2.00000
   34   34               -12.15379     -6.07689   -165.33441   2.00000
   35   35               -12.07392     -6.03696   -164.24794   2.00000
   36   36               -12.07348     -6.03674   -164.24201   2.00000
   37   37               -11.92148     -5.96074   -162.17416   2.00000
   38   38               -11.92133     -5.96067   -162.17221   2.00000
   39   39                -2.47835     -1.23918    -33.71432   2.00000
   40   40                -2.46133     -1.23067    -33.48281   2.00000
   41   41                -2.15916     -1.07958    -29.37214   2.00000
   42   42                -2.05425     -1.02712    -27.94503   2.00000
   43   43                -2.03965     -1.01983    -27.74651   2.00000
   44   44                -1.97909     -0.98955    -26.92261   2.00000
   45   45                -1.91595     -0.95798    -26.06375   2.00000
   46   46                -1.74436     -0.87218    -23.72944   2.00000
   47   47                -1.73788     -0.86894    -23.64126   2.00000
   48   48                -1.60487     -0.80243    -21.83188   2.00000
   49   49                -1.59419     -0.79709    -21.68654   2.00000
   50   50                -1.55925     -0.77963    -21.21131   2.00000
   51   51                -1.50839     -0.75419    -20.51940   2.00000
   52   52                -1.46643     -0.73322    -19.94865   2.00000
   53   53                -1.44133     -0.72066    -19.60716   2.00000
   54   54                -1.43524     -0.71762    -19.52435   2.00000
   55   55                -1.29397     -0.64698    -17.60250   2.00000
   56   56                -1.28370     -0.64185    -17.46281   2.00000
   57   57                -1.27527     -0.63763    -17.34812   2.00000
   58   58                -1.27199     -0.63599    -17.30354   2.00000
   59   59                -1.23339     -0.61669    -16.77843   2.00000
   60   60                -1.22783     -0.61392    -16.70283   2.00000
   61   61                -1.22150     -0.61075    -16.61671   2.00000
   62   62                -1.20633     -0.60316    -16.41031   2.00000
   63   63                -1.16789     -0.58394    -15.88739   2.00000
   64   64                -1.14458     -0.57229    -15.57028   2.00000
   65   65                -1.13821     -0.56911    -15.48369   2.00000
   66   66                -1.08800     -0.54400    -14.80065   2.00000
   67   67                -1.07650     -0.53825    -14.64418   2.00000
   68   68                -1.05957     -0.52979    -14.41395   2.00000
   69   69                -1.01722     -0.50861    -13.83776   2.00000
   70   70                -1.01089     -0.50544    -13.75166   2.00000
   71   71                -0.99278     -0.49639    -13.50525   2.00000
   72   72                -0.98572     -0.49286    -13.40933   2.00000
   73   73                -0.98364     -0.49182    -13.38093   2.00000
   74   74                -0.97560     -0.48780    -13.27164   2.00000
   75   75                -0.91255     -0.45627    -12.41389   2.00000
   76   76                -0.85515     -0.42758    -11.63309   2.00000
   77   77                -0.81622     -0.40811    -11.10342   2.00000
   78   78                -0.80026     -0.40013    -10.88636   2.00000
   79   79                -0.78860     -0.39430    -10.72777   2.00000
   80   80                -0.78647     -0.39323    -10.69872   2.00000
   81   81                -0.78308     -0.39154    -10.65269   2.00000
   82   82                -0.75876     -0.37938    -10.32178   2.00000
   83   83                -0.75274     -0.37637    -10.23999   2.00000
   84   84                -0.72467     -0.36234     -9.85808   2.00000
   85   85                -0.71773     -0.35887     -9.76368   2.00000
   86   86                -0.69712     -0.34856     -9.48323   2.00000
   87   87                -0.61296     -0.30648     -8.33837   2.00000
   88   88                -0.57853     -0.28927     -7.87010   2.00000
   89   89                -0.56284     -0.28142     -7.65662   2.00000
   90   90                -0.53159     -0.26580     -7.23155   2.00000
   91   91                -0.52730     -0.26365     -7.17311   2.00000
   92   92                -0.48975     -0.24487     -6.66229   2.00000
   93   93                -0.48095     -0.24047     -6.54256   2.00000
   94   94                -0.45800     -0.22900     -6.23036   2.00000
   95   95                -0.45436     -0.22718     -6.18087   2.00000
   96   96                -0.40551     -0.20276     -5.51641   2.00000
   97   97                -0.36030     -0.18015     -4.90140   2.00000
   98   98                -0.35065     -0.17532     -4.77006   2.00000
   99   99                -0.33482     -0.16741     -4.55478   2.00000
  100  100                -0.25479     -0.12740     -3.46607   2.00000
  101  101                -0.24430     -0.12215     -3.32331   2.00000
  102  102                -0.23639     -0.11819     -3.21571   2.00000
  103  103                -0.17922     -0.08961     -2.43808   2.00000
  104  104                -0.16628     -0.08314     -2.26202   2.00000
  105  105                -0.14101     -0.07050     -1.91822   2.00000
  106  106                -0.13141     -0.06570     -1.78762   2.00000
  107  107                -0.12623     -0.06311     -1.71711   2.00000
  108  108                -0.10165     -0.05083     -1.38286   2.00000
  109  109                -0.09085     -0.04542     -1.23587   2.00000
  110  110                -0.07154     -0.03577     -0.97323   2.00000
  111  111                -0.04976     -0.02488     -0.67686   2.00000
  112  112                -0.04185     -0.02093     -0.56935   2.00000
  113  113                -0.03335     -0.01668     -0.45371   2.00000
  114  114                -0.02860     -0.01430     -0.38904   2.00000
  115  115                -0.01378     -0.00689     -0.18751   0.00000
  116  116                 0.00094      0.00047      0.01281   0.00000
  117  117                 0.01950      0.00975      0.26530   0.00000
  118  118                 0.02214      0.01107      0.30123   0.00000
  119  119                 0.02504      0.01252      0.34061   0.00000
  120  120                 0.14777      0.07389      2.01024   0.00000
  121  121                 0.14941      0.07471      2.03253   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09760      2.65529   0.00000
  124  124                 0.23482      0.11741      3.19433   0.00000
  125  125                 0.31686      0.15843      4.31048   0.00000
  126  126                 0.34705      0.17352      4.72105   0.00000
  127  127                 0.35287      0.17643      4.80025   0.00000
  128  128                 0.39935      0.19968      5.43260   0.00000
  129  129                 0.43158      0.21579      5.87098   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48289      0.24144      6.56896   0.00000
  133  133                 0.54706      0.27353      7.44201   0.00000
  134  134                 0.56220      0.28110      7.64797   0.00000
  135  135                 0.56658      0.28329      7.70755   0.00000
  136  136                 0.56804      0.28402      7.72733   0.00000
  137  137                 0.57668      0.28834      7.84492   0.00000
  138  138                 0.63435      0.31717      8.62938   0.00000
  139  139                 0.66860      0.33430      9.09537   0.00000
  140  140                 0.69079      0.34540      9.39724   0.00000
  141  141                 0.71736      0.35868      9.75865   0.00000
  142  142                 0.74081      0.37041     10.07765   0.00000
  143  143                 0.79577      0.39788     10.82526   0.00000
  144  144                 0.82923      0.41461     11.28045   0.00000
  145  145                 0.84956      0.42478     11.55697   0.00000
  146  146                 0.85277      0.42639     11.60075   0.00000
  147  147                 0.85921      0.42960     11.68823   0.00000
  148  148                 0.86479      0.43240     11.76425   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91428      0.45714     12.43739   0.00000
  151  151                 0.92996      0.46498     12.65078   0.00000
  152  152                 0.93885      0.46942     12.77162   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42626   0.00000
  155  155                 1.01793      0.50897     13.84744   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50057   0.00000
  158  158                 1.06979      0.53490     14.55296   0.00000
  159  159                 1.14735      0.57367     15.60798   0.00000
  160  160                 1.15445      0.57723     15.70464   0.00000
  161  161                 1.16355      0.58177     15.82838   0.00000
  162  162                 1.18389      0.59194     16.10508   0.00000
  163  163                 1.20927      0.60463     16.45028   0.00000
  164  164                 1.22994      0.61497     16.73150   0.00000
  165  165                 1.27089      0.63544     17.28859   0.00000
  166  166                 1.30075      0.65038     17.69484   0.00000
  167  167                 1.33091      0.66545     18.10503   0.00000
  168  168                 1.34813      0.67406     18.33931   0.00000
  169  169                 1.34891      0.67445     18.34987   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77336   0.00000
  172  172                 1.39899      0.69950     19.03122   0.00000
  173  173                 1.44573      0.72287     19.66708   0.00000
  174  174                 1.46555      0.73278     19.93668   0.00000
  175  175                 1.47148      0.73574     20.01727   0.00000
  176  176                 1.50334      0.75167     20.45075   0.00000
  177  177                 1.55958      0.77979     21.21575   0.00000
  178  178                 1.58184      0.79092     21.51855   0.00000
  179  179                 1.60524      0.80262     21.83690   0.00000
  180  180                 1.61742      0.80871     22.00267   0.00000
  181  181                 1.67033      0.83516     22.72236   0.00000
  182  182                 1.68158      0.84079     22.87539   0.00000
  183  183                 1.72883      0.86441     23.51818   0.00000
  184  184                 1.78052      0.89026     24.22142   0.00000
  185  185                 1.86831      0.93415     25.41558   0.00000
  186  186                 1.87928      0.93964     25.56491   0.00000
  187  187                 1.91964      0.95982     26.11392   0.00000
  188  188                 1.99683      0.99842     27.16394   0.00000
  189  189                 2.07263      1.03632     28.19515   0.00000
  190  190                 2.09322      1.04661     28.47517   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    9    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.32317E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67429 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249007E+03   -0.1298789097E-03    0.0000000000E+00


              2   E=       -2.37573 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88649E+00   0.10000E+01   0.15941E+01   0.29140E+01   0.13198E+02   0.84383E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895725589E+02   -0.8993138034E-05    0.0000000000E+00


              3   E=       -2.14053 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86993E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27652E+01   0.12921E+02   0.88474E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216302944E-04   -0.4636475211E-11   -0.4298196939E-10


 ***TOTAL****    0.2352732140E+01    0.2339965820E+01   -0.7190023818E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25582 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654868E+04   -0.3695709101E-03    0.0000000000E+00


              2   E=       -2.04957 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74934E+01   0.41758E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926979259E+02   -0.1850907449E-04    0.0000000000E+00


              3   E=       -1.61824 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72267E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804069381E-03   -0.1987933477E-10   -0.1843781955E-09


 ***TOTAL****    0.2353426993E+01    0.2339965820E+01   -0.7822318308E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86039 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117552E+03   -0.1300289187E-03    0.0000000000E+00


              2   E=       -2.51058 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12514E+02   0.77638E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002143005E+02   -0.9323636789E-05    0.0000000000E+00


              3   E=       -2.27840 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90161E+00   0.81928E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79019E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495093124E-04   -0.4943048668E-11   -0.4582402822E-10


 ***TOTAL****    0.2352731513E+01    0.2339965820E+01   -0.7126124617E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73947 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468714E+04   -0.3695134185E-03    0.0000000000E+00


              2   E=       -1.60345 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90389E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452565173E+02   -0.1702754453E-04    0.0000000000E+00


              3   E=       -1.18083 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541175744E-03   -0.1698246371E-10   -0.1575100958E-09


 ***TOTAL****    0.2353431469E+01    0.2339965820E+01   -0.7868057734E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239304E+04   -0.3694425665E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294538954E+02   -0.1653405031E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287640E-03   -0.1600299019E-10   -0.1484256073E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660750811E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28389 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664636E+04   -0.3695739268E-03    0.0000000000E+00


              2   E=       -2.07336 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20554E+01   0.74215E+01   0.41111E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953760651E+02   -0.1859270915E-04    0.0000000000E+00


              3   E=       -1.64169 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96238E+00   0.10000E+01   0.13644E+01   0.22877E+01   0.10127E+02   0.70518E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818829646E-03   -0.2004198076E-10   -0.1858867158E-09


 ***TOTAL****    0.2353426181E+01    0.2339965820E+01   -0.7814017349E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73189 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586798E+03   -0.1299201295E-03    0.0000000000E+00


              2   E=       -2.41741 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32703E+01   0.89093E+00   0.10000E+01   0.15877E+01   0.28904E+01   0.12977E+02   0.82183E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928872537E+02   -0.9096081887E-05    0.0000000000E+00


              3   E=       -2.18311 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87985E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12620E+02   0.85356E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302674808E-04   -0.4731454582E-11   -0.4386246621E-10


 ***TOTAL****    0.2352731001E+01    0.2339965820E+01   -0.7073902347E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18959 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534468E+04   -0.3695337251E-03    0.0000000000E+00


              2   E=       -1.99370 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76662E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864885239E+02   -0.1831516304E-04    0.0000000000E+00


              3   E=       -1.56326 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30458E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76604E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769907640E-03   -0.1950290032E-10   -0.1808868150E-09


 ***TOTAL****    0.2353419907E+01    0.2339965820E+01   -0.7749894135E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28117 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228694797E+03   -0.1302931985E-03    0.0000000000E+00


              2   E=       -2.80586 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93289E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250223074E+02   -0.1009409499E-04    0.0000000000E+00


              3   E=       -2.58283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61874E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195225413E-04   -0.5712953794E-11   -0.5296135739E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170473101E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56584 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238217866E+03   -0.1305866220E-03    0.0000000000E+00


              2   E=       -2.99747 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95379E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416433019E+02   -0.1061029204E-04    0.0000000000E+00


              3   E=       -2.78191 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23322E+01   0.92215E+01   0.53310E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706097732E-04   -0.6274738417E-11   -0.5816932674E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744566041E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   2TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59735        0.59732        0.59732
    3    1  210        1.67280        1.67273        1.67273
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54956        4.64874        1.54958
    6    2  210        4.24254       12.72783        4.24261
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43806        2.62829        0.43805
    9    3  210        1.55511        9.33044        1.55507
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69867        5.09604        1.69868
   12    4  210        4.99527       14.98590        4.99530
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25416        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54256        1.54259        1.54259
   18    6  210        4.20364        4.20373        4.20373
   19    7  100        2.00042        6.00126        2.00042
   20    7  200        0.57233        1.71690        0.57230
   21    7  210        1.61275        4.83807        1.61269
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61526        9.69162        1.61527
   24    8  210        4.28439       25.70660        4.28443
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43112        1.29332        0.43111
   27    9  210        0.97627        2.92877        0.97626
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21041        1.26241        0.21040
   30   10  210        0.81565        4.89385        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.342985E-04 0.953648E-09 0.953058E-09 0.619856E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.681397E-04 0.523237E-09 0.523527E-09 0.553707E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663990E+02 0.663989E+02 0.295973E-04 0.515400E-09 0.515238E-09 0.315895E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.635534E-04 0.648646E-09 0.648834E-09 0.289738E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.184045E+03 0.184045E+03 0.623582E-04 0.860569E-09 0.860614E-09 0.518949E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.596956E-04 0.461099E-09 0.461409E-09 0.673175E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.326804E-04 0.781796E-09 0.781396E-09 0.512551E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.695423E-04 0.697572E-09 0.697818E-09 0.353713E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666042E+02 0.666041E+02 0.225206E-04 0.626621E-09 0.626484E-09 0.218673E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.592922E+02 0.592922E+02 0.178621E-04 0.590019E-09 0.589962E-09 0.968086E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93796   2.00000
    2    2               -28.44310    -14.22155   -386.92661   2.00000
    3    3               -28.12278    -14.06139   -382.56913   2.00000
    4    4               -28.12275    -14.06138   -382.56874   2.00000
    5    5               -28.10843    -14.05422   -382.37391   2.00000
    6    6               -27.95984    -13.97992   -380.35257   2.00000
    7    7               -27.95941    -13.97971   -380.34670   2.00000
    8    8               -27.64836    -13.82418   -376.11529   2.00000
    9    9               -27.64831    -13.82415   -376.11458   2.00000
   10   10               -27.63430    -13.81715   -375.92409   2.00000
   11   11               -27.63412    -13.81706   -375.92157   2.00000
   12   12               -27.59536    -13.79768   -375.39433   2.00000
   13   13               -27.17355    -13.58678   -369.65624   2.00000
   14   14               -27.17325    -13.58663   -369.65218   2.00000
   15   15               -27.15583    -13.57792   -369.41517   2.00000
   16   16               -27.15037    -13.57518   -369.34086   2.00000
   17   17               -27.14980    -13.57490   -369.33307   2.00000
   18   18               -27.00378    -13.50189   -367.34677   2.00000
   19   19               -27.00354    -13.50177   -367.34342   2.00000
   20   20               -13.34810     -6.67405   -181.58131   2.00000
   21   21               -13.34771     -6.67385   -181.57594   2.00000
   22   22               -13.10310     -6.55155   -178.24846   2.00000
   23   23               -13.10286     -6.55143   -178.24509   2.00000
   24   24               -13.03176     -6.51588   -177.27789   2.00000
   25   25               -13.03159     -6.51580   -177.27569   2.00000
   26   26               -13.02076     -6.51038   -177.12825   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75547   2.00000
   29   29               -12.55226     -6.27613   -170.75502   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67224   2.00000
   32   32               -12.40086     -6.20043   -168.69546   2.00000
   33   33               -12.40069     -6.20034   -168.69315   2.00000
   34   34               -12.15379     -6.07689   -165.33443   2.00000
   35   35               -12.07392     -6.03696   -164.24795   2.00000
   36   36               -12.07349     -6.03674   -164.24202   2.00000
   37   37               -11.92148     -5.96074   -162.17418   2.00000
   38   38               -11.92133     -5.96067   -162.17222   2.00000
   39   39                -2.47835     -1.23918    -33.71434   2.00000
   40   40                -2.46133     -1.23067    -33.48283   2.00000
   41   41                -2.15916     -1.07958    -29.37216   2.00000
   42   42                -2.05425     -1.02712    -27.94505   2.00000
   43   43                -2.03966     -1.01983    -27.74652   2.00000
   44   44                -1.97909     -0.98955    -26.92263   2.00000
   45   45                -1.91596     -0.95798    -26.06377   2.00000
   46   46                -1.74436     -0.87218    -23.72946   2.00000
   47   47                -1.73788     -0.86894    -23.64128   2.00000
   48   48                -1.60487     -0.80243    -21.83190   2.00000
   49   49                -1.59419     -0.79709    -21.68657   2.00000
   50   50                -1.55925     -0.77963    -21.21133   2.00000
   51   51                -1.50839     -0.75419    -20.51942   2.00000
   52   52                -1.46643     -0.73322    -19.94867   2.00000
   53   53                -1.44133     -0.72067    -19.60718   2.00000
   54   54                -1.43524     -0.71762    -19.52437   2.00000
   55   55                -1.29397     -0.64698    -17.60252   2.00000
   56   56                -1.28370     -0.64185    -17.46283   2.00000
   57   57                -1.27527     -0.63763    -17.34814   2.00000
   58   58                -1.27199     -0.63600    -17.30356   2.00000
   59   59                -1.23339     -0.61669    -16.77845   2.00000
   60   60                -1.22783     -0.61392    -16.70285   2.00000
   61   61                -1.22150     -0.61075    -16.61673   2.00000
   62   62                -1.20633     -0.60316    -16.41033   2.00000
   63   63                -1.16789     -0.58394    -15.88742   2.00000
   64   64                -1.14458     -0.57229    -15.57030   2.00000
   65   65                -1.13821     -0.56911    -15.48370   2.00000
   66   66                -1.08800     -0.54400    -14.80068   2.00000
   67   67                -1.07650     -0.53825    -14.64420   2.00000
   68   68                -1.05958     -0.52979    -14.41397   2.00000
   69   69                -1.01722     -0.50861    -13.83778   2.00000
   70   70                -1.01089     -0.50545    -13.75168   2.00000
   71   71                -0.99278     -0.49639    -13.50528   2.00000
   72   72                -0.98573     -0.49286    -13.40935   2.00000
   73   73                -0.98364     -0.49182    -13.38095   2.00000
   74   74                -0.97560     -0.48780    -13.27167   2.00000
   75   75                -0.91255     -0.45628    -12.41391   2.00000
   76   76                -0.85515     -0.42758    -11.63311   2.00000
   77   77                -0.81622     -0.40811    -11.10344   2.00000
   78   78                -0.80026     -0.40013    -10.88637   2.00000
   79   79                -0.78860     -0.39430    -10.72779   2.00000
   80   80                -0.78647     -0.39323    -10.69875   2.00000
   81   81                -0.78308     -0.39154    -10.65271   2.00000
   82   82                -0.75876     -0.37938    -10.32181   2.00000
   83   83                -0.75275     -0.37637    -10.24000   2.00000
   84   84                -0.72467     -0.36234     -9.85810   2.00000
   85   85                -0.71773     -0.35887     -9.76371   2.00000
   86   86                -0.69712     -0.34856     -9.48325   2.00000
   87   87                -0.61296     -0.30648     -8.33839   2.00000
   88   88                -0.57853     -0.28927     -7.87011   2.00000
   89   89                -0.56284     -0.28142     -7.65664   2.00000
   90   90                -0.53160     -0.26580     -7.23157   2.00000
   91   91                -0.52730     -0.26365     -7.17312   2.00000
   92   92                -0.48975     -0.24487     -6.66231   2.00000
   93   93                -0.48095     -0.24047     -6.54258   2.00000
   94   94                -0.45800     -0.22900     -6.23038   2.00000
   95   95                -0.45436     -0.22718     -6.18089   2.00000
   96   96                -0.40551     -0.20276     -5.51643   2.00000
   97   97                -0.36030     -0.18015     -4.90141   2.00000
   98   98                -0.35065     -0.17533     -4.77008   2.00000
   99   99                -0.33483     -0.16741     -4.55480   2.00000
  100  100                -0.25479     -0.12740     -3.46609   2.00000
  101  101                -0.24430     -0.12215     -3.32333   2.00000
  102  102                -0.23639     -0.11819     -3.21573   2.00000
  103  103                -0.17923     -0.08961     -2.43810   2.00000
  104  104                -0.16628     -0.08314     -2.26203   2.00000
  105  105                -0.14101     -0.07050     -1.91823   2.00000
  106  106                -0.13141     -0.06570     -1.78763   2.00000
  107  107                -0.12623     -0.06311     -1.71712   2.00000
  108  108                -0.10166     -0.05083     -1.38289   2.00000
  109  109                -0.09085     -0.04542     -1.23587   2.00000
  110  110                -0.07154     -0.03577     -0.97326   2.00000
  111  111                -0.04976     -0.02488     -0.67688   2.00000
  112  112                -0.04185     -0.02093     -0.56937   2.00000
  113  113                -0.03335     -0.01668     -0.45372   2.00000
  114  114                -0.02860     -0.01430     -0.38907   2.00000
  115  115                -0.01378     -0.00689     -0.18752   0.00000
  116  116                 0.00094      0.00047      0.01280   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30121   0.00000
  119  119                 0.02504      0.01252      0.34060   0.00000
  120  120                 0.14777      0.07389      2.01024   0.00000
  121  121                 0.14941      0.07471      2.03251   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09760      2.65527   0.00000
  124  124                 0.23482      0.11741      3.19432   0.00000
  125  125                 0.31686      0.15843      4.31046   0.00000
  126  126                 0.34705      0.17352      4.72104   0.00000
  127  127                 0.35287      0.17643      4.80024   0.00000
  128  128                 0.39935      0.19968      5.43260   0.00000
  129  129                 0.43158      0.21579      5.87096   0.00000
  130  130                 0.46509      0.23254      6.32685   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48289      0.24144      6.56895   0.00000
  133  133                 0.54707      0.27353      7.44202   0.00000
  134  134                 0.56220      0.28110      7.64796   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72733   0.00000
  137  137                 0.57668      0.28834      7.84492   0.00000
  138  138                 0.63435      0.31717      8.62938   0.00000
  139  139                 0.66860      0.33430      9.09537   0.00000
  140  140                 0.69079      0.34540      9.39723   0.00000
  141  141                 0.71736      0.35868      9.75864   0.00000
  142  142                 0.74081      0.37041     10.07765   0.00000
  143  143                 0.79577      0.39788     10.82526   0.00000
  144  144                 0.82923      0.41461     11.28044   0.00000
  145  145                 0.84956      0.42478     11.55698   0.00000
  146  146                 0.85277      0.42639     11.60073   0.00000
  147  147                 0.85921      0.42960     11.68823   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91428      0.45714     12.43738   0.00000
  151  151                 0.92996      0.46498     12.65078   0.00000
  152  152                 0.93885      0.46942     12.77162   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42625   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50057   0.00000
  158  158                 1.06979      0.53490     14.55295   0.00000
  159  159                 1.14735      0.57367     15.60798   0.00000
  160  160                 1.15445      0.57723     15.70462   0.00000
  161  161                 1.16355      0.58177     15.82837   0.00000
  162  162                 1.18389      0.59194     16.10507   0.00000
  163  163                 1.20926      0.60463     16.45026   0.00000
  164  164                 1.22994      0.61497     16.73149   0.00000
  165  165                 1.27089      0.63544     17.28858   0.00000
  166  166                 1.30075      0.65038     17.69484   0.00000
  167  167                 1.33091      0.66545     18.10503   0.00000
  168  168                 1.34813      0.67406     18.33931   0.00000
  169  169                 1.34890      0.67445     18.34987   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77336   0.00000
  172  172                 1.39899      0.69950     19.03122   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73278     19.93667   0.00000
  175  175                 1.47148      0.73574     20.01728   0.00000
  176  176                 1.50334      0.75167     20.45074   0.00000
  177  177                 1.55958      0.77979     21.21574   0.00000
  178  178                 1.58184      0.79092     21.51854   0.00000
  179  179                 1.60524      0.80262     21.83689   0.00000
  180  180                 1.61742      0.80871     22.00266   0.00000
  181  181                 1.67033      0.83516     22.72235   0.00000
  182  182                 1.68158      0.84079     22.87538   0.00000
  183  183                 1.72883      0.86441     23.51817   0.00000
  184  184                 1.78052      0.89026     24.22140   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56491   0.00000
  187  187                 1.91964      0.95982     26.11391   0.00000
  188  188                 1.99683      0.99841     27.16393   0.00000
  189  189                 2.07263      1.03632     28.19514   0.00000
  190  190                 2.09322      1.04661     28.47516   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    8    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.32963E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67431 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249060E+03   -0.1298789113E-03    0.0000000000E+00


              2   E=       -2.37574 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84382E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895736290E+02   -0.8993171270E-05    0.0000000000E+00


              3   E=       -2.14054 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86993E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27652E+01   0.12921E+02   0.88473E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216326750E-04   -0.4636501389E-11   -0.4298221207E-10


 ***TOTAL****    0.2352732139E+01    0.2339965820E+01   -0.7189962600E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25581 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654880E+04   -0.3695709137E-03    0.0000000000E+00


              2   E=       -2.04956 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74934E+01   0.41758E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926972115E+02   -0.1850905218E-04    0.0000000000E+00


              3   E=       -1.61822 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72268E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804065635E-03   -0.1987929349E-10   -0.1843778126E-09


 ***TOTAL****    0.2353426996E+01    0.2339965820E+01   -0.7822345246E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86039 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117605E+03   -0.1300289203E-03    0.0000000000E+00


              2   E=       -2.51059 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12514E+02   0.77638E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002148295E+02   -0.9323653218E-05    0.0000000000E+00


              3   E=       -2.27840 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81928E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79018E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495105321E-04   -0.4943062081E-11   -0.4582415256E-10


 ***TOTAL****    0.2352731513E+01    0.2339965820E+01   -0.7126094993E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73946 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468718E+04   -0.3695134197E-03    0.0000000000E+00


              2   E=       -1.60345 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90389E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452563406E+02   -0.1702753901E-04    0.0000000000E+00


              3   E=       -1.18083 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541174684E-03   -0.1698245203E-10   -0.1575099875E-09


 ***TOTAL****    0.2353431470E+01    0.2339965820E+01   -0.7868067120E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239325E+04   -0.3694425729E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294538720E+02   -0.1653404958E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287490E-03   -0.1600298853E-10   -0.1484255919E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660750538E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28387 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664652E+04   -0.3695739319E-03    0.0000000000E+00


              2   E=       -2.07335 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20554E+01   0.74215E+01   0.41111E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953751788E+02   -0.1859268147E-04    0.0000000000E+00


              3   E=       -1.64167 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96238E+00   0.10000E+01   0.13644E+01   0.22877E+01   0.10127E+02   0.70519E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818825039E-03   -0.2004192999E-10   -0.1858862450E-09


 ***TOTAL****    0.2353426184E+01    0.2339965820E+01   -0.7814049090E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73191 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586849E+03   -0.1299201310E-03    0.0000000000E+00


              2   E=       -2.41742 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32703E+01   0.89093E+00   0.10000E+01   0.15877E+01   0.28904E+01   0.12977E+02   0.82182E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928881277E+02   -0.9096109031E-05    0.0000000000E+00


              3   E=       -2.18312 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87985E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12620E+02   0.85355E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302694466E-04   -0.4731476199E-11   -0.4386266660E-10


 ***TOTAL****    0.2352731000E+01    0.2339965820E+01   -0.7073852653E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18958 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534474E+04   -0.3695337271E-03    0.0000000000E+00


              2   E=       -1.99369 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76662E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864880840E+02   -0.1831514931E-04    0.0000000000E+00


              3   E=       -1.56325 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30458E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76604E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769905295E-03   -0.1950287449E-10   -0.1808865754E-09


 ***TOTAL****    0.2353419909E+01    0.2339965820E+01   -0.7749910718E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28118 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228694877E+03   -0.1302932010E-03    0.0000000000E+00


              2   E=       -2.80586 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93289E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250227447E+02   -0.1009410858E-04    0.0000000000E+00


              3   E=       -2.58284 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61874E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195236775E-04   -0.5712966288E-11   -0.5296147322E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170453854E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238217927E+03   -0.1305866239E-03    0.0000000000E+00


              2   E=       -2.99747 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95379E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416435058E+02   -0.1061029837E-04    0.0000000000E+00


              3   E=       -2.78191 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23322E+01   0.92215E+01   0.53310E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706103524E-04   -0.6274744786E-11   -0.5816938579E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744558577E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   3TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59734        0.59732        0.59732
    3    1  210        1.67278        1.67272        1.67272
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54957        4.64874        1.54958
    6    2  210        4.24256       12.72785        4.24262
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43806        2.62827        0.43805
    9    3  210        1.55510        9.33043        1.55507
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09604        1.69868
   12    4  210        4.99528       14.98591        4.99530
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25416        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54257        1.54259        1.54259
   18    6  210        4.20367        4.20374        4.20374
   19    7  100        2.00042        6.00126        2.00042
   20    7  200        0.57232        1.71690        0.57230
   21    7  210        1.61273        4.83805        1.61268
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61526        9.69163        1.61527
   24    8  210        4.28440       25.70663        4.28444
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43112        1.29331        0.43110
   27    9  210        0.97627        2.92876        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21041        1.26240        0.21040
   30   10  210        0.81565        4.89384        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.249295E-04 0.953454E-09 0.952999E-09 0.477305E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.478941E-04 0.523332E-09 0.523556E-09 0.428004E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663990E+02 0.663989E+02 0.212188E-04 0.515347E-09 0.515223E-09 0.240650E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.447500E-04 0.648708E-09 0.648852E-09 0.221500E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.184045E+03 0.184045E+03 0.378473E-04 0.860584E-09 0.860618E-09 0.392282E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.431698E-04 0.461201E-09 0.461442E-09 0.521441E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.236039E-04 0.781664E-09 0.781357E-09 0.393492E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.474154E-04 0.697653E-09 0.697843E-09 0.272739E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666042E+02 0.666041E+02 0.160427E-04 0.626576E-09 0.626472E-09 0.166509E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.592922E+02 0.592922E+02 0.125202E-04 0.590000E-09 0.589957E-09 0.730982E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93799   2.00000
    2    2               -28.44311    -14.22155   -386.92664   2.00000
    3    3               -28.12279    -14.06139   -382.56917   2.00000
    4    4               -28.12276    -14.06138   -382.56878   2.00000
    5    5               -28.10844    -14.05422   -382.37396   2.00000
    6    6               -27.95985    -13.97992   -380.35260   2.00000
    7    7               -27.95941    -13.97971   -380.34673   2.00000
    8    8               -27.64836    -13.82418   -376.11532   2.00000
    9    9               -27.64831    -13.82416   -376.11462   2.00000
   10   10               -27.63431    -13.81715   -375.92414   2.00000
   11   11               -27.63412    -13.81706   -375.92163   2.00000
   12   12               -27.59537    -13.79768   -375.39439   2.00000
   13   13               -27.17356    -13.58678   -369.65628   2.00000
   14   14               -27.17326    -13.58663   -369.65222   2.00000
   15   15               -27.15584    -13.57792   -369.41523   2.00000
   16   16               -27.15037    -13.57519   -369.34091   2.00000
   17   17               -27.14980    -13.57490   -369.33312   2.00000
   18   18               -27.00378    -13.50189   -367.34680   2.00000
   19   19               -27.00354    -13.50177   -367.34345   2.00000
   20   20               -13.34810     -6.67405   -181.58132   2.00000
   21   21               -13.34771     -6.67385   -181.57595   2.00000
   22   22               -13.10310     -6.55155   -178.24848   2.00000
   23   23               -13.10286     -6.55143   -178.24510   2.00000
   24   24               -13.03176     -6.51588   -177.27790   2.00000
   25   25               -13.03160     -6.51580   -177.27570   2.00000
   26   26               -13.02076     -6.51038   -177.12825   2.00000
   27   27               -12.55272     -6.27636   -170.76135   2.00000
   28   28               -12.55229     -6.27615   -170.75548   2.00000
   29   29               -12.55226     -6.27613   -170.75503   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67224   2.00000
   32   32               -12.40086     -6.20043   -168.69548   2.00000
   33   33               -12.40069     -6.20035   -168.69316   2.00000
   34   34               -12.15379     -6.07689   -165.33444   2.00000
   35   35               -12.07392     -6.03696   -164.24796   2.00000
   36   36               -12.07349     -6.03674   -164.24203   2.00000
   37   37               -11.92148     -5.96074   -162.17419   2.00000
   38   38               -11.92133     -5.96067   -162.17223   2.00000
   39   39                -2.47835     -1.23918    -33.71435   2.00000
   40   40                -2.46134     -1.23067    -33.48285   2.00000
   41   41                -2.15916     -1.07958    -29.37218   2.00000
   42   42                -2.05425     -1.02713    -27.94506   2.00000
   43   43                -2.03966     -1.01983    -27.74654   2.00000
   44   44                -1.97909     -0.98955    -26.92264   2.00000
   45   45                -1.91596     -0.95798    -26.06378   2.00000
   46   46                -1.74436     -0.87218    -23.72948   2.00000
   47   47                -1.73788     -0.86894    -23.64129   2.00000
   48   48                -1.60487     -0.80244    -21.83191   2.00000
   49   49                -1.59419     -0.79709    -21.68658   2.00000
   50   50                -1.55925     -0.77963    -21.21133   2.00000
   51   51                -1.50839     -0.75419    -20.51943   2.00000
   52   52                -1.46644     -0.73322    -19.94870   2.00000
   53   53                -1.44133     -0.72067    -19.60719   2.00000
   54   54                -1.43524     -0.71762    -19.52439   2.00000
   55   55                -1.29397     -0.64698    -17.60255   2.00000
   56   56                -1.28370     -0.64185    -17.46285   2.00000
   57   57                -1.27527     -0.63763    -17.34816   2.00000
   58   58                -1.27199     -0.63600    -17.30357   2.00000
   59   59                -1.23339     -0.61670    -16.77847   2.00000
   60   60                -1.22783     -0.61392    -16.70286   2.00000
   61   61                -1.22150     -0.61075    -16.61674   2.00000
   62   62                -1.20633     -0.60317    -16.41035   2.00000
   63   63                -1.16789     -0.58395    -15.88744   2.00000
   64   64                -1.14458     -0.57229    -15.57032   2.00000
   65   65                -1.13821     -0.56911    -15.48372   2.00000
   66   66                -1.08800     -0.54400    -14.80069   2.00000
   67   67                -1.07650     -0.53825    -14.64422   2.00000
   68   68                -1.05958     -0.52979    -14.41398   2.00000
   69   69                -1.01722     -0.50861    -13.83780   2.00000
   70   70                -1.01089     -0.50545    -13.75169   2.00000
   71   71                -0.99278     -0.49639    -13.50530   2.00000
   72   72                -0.98573     -0.49286    -13.40936   2.00000
   73   73                -0.98364     -0.49182    -13.38097   2.00000
   74   74                -0.97561     -0.48780    -13.27168   2.00000
   75   75                -0.91255     -0.45628    -12.41392   2.00000
   76   76                -0.85515     -0.42758    -11.63312   2.00000
   77   77                -0.81622     -0.40811    -11.10344   2.00000
   78   78                -0.80026     -0.40013    -10.88638   2.00000
   79   79                -0.78860     -0.39430    -10.72781   2.00000
   80   80                -0.78647     -0.39323    -10.69876   2.00000
   81   81                -0.78309     -0.39154    -10.65273   2.00000
   82   82                -0.75876     -0.37938    -10.32182   2.00000
   83   83                -0.75275     -0.37637    -10.24001   2.00000
   84   84                -0.72467     -0.36234     -9.85811   2.00000
   85   85                -0.71773     -0.35887     -9.76372   2.00000
   86   86                -0.69712     -0.34856     -9.48326   2.00000
   87   87                -0.61296     -0.30648     -8.33841   2.00000
   88   88                -0.57854     -0.28927     -7.87012   2.00000
   89   89                -0.56284     -0.28142     -7.65666   2.00000
   90   90                -0.53160     -0.26580     -7.23158   2.00000
   91   91                -0.52730     -0.26365     -7.17313   2.00000
   92   92                -0.48975     -0.24487     -6.66232   2.00000
   93   93                -0.48095     -0.24047     -6.54260   2.00000
   94   94                -0.45800     -0.22900     -6.23038   2.00000
   95   95                -0.45436     -0.22718     -6.18091   2.00000
   96   96                -0.40552     -0.20276     -5.51645   2.00000
   97   97                -0.36031     -0.18015     -4.90143   2.00000
   98   98                -0.35065     -0.17533     -4.77010   2.00000
   99   99                -0.33483     -0.16741     -4.55481   2.00000
  100  100                -0.25480     -0.12740     -3.46611   2.00000
  101  101                -0.24430     -0.12215     -3.32334   2.00000
  102  102                -0.23639     -0.11820     -3.21574   2.00000
  103  103                -0.17923     -0.08961     -2.43811   2.00000
  104  104                -0.16628     -0.08314     -2.26204   2.00000
  105  105                -0.14101     -0.07051     -1.91824   2.00000
  106  106                -0.13141     -0.06571     -1.78764   2.00000
  107  107                -0.12623     -0.06311     -1.71713   2.00000
  108  108                -0.10166     -0.05083     -1.38291   2.00000
  109  109                -0.09085     -0.04542     -1.23588   2.00000
  110  110                -0.07155     -0.03577     -0.97328   2.00000
  111  111                -0.04976     -0.02488     -0.67689   2.00000
  112  112                -0.04185     -0.02093     -0.56937   2.00000
  113  113                -0.03335     -0.01668     -0.45373   2.00000
  114  114                -0.02860     -0.01430     -0.38909   2.00000
  115  115                -0.01379     -0.00689     -0.18753   0.00000
  116  116                 0.00094      0.00047      0.01279   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30121   0.00000
  119  119                 0.02504      0.01252      0.34060   0.00000
  120  120                 0.14777      0.07389      2.01023   0.00000
  121  121                 0.14941      0.07470      2.03249   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65526   0.00000
  124  124                 0.23481      0.11741      3.19431   0.00000
  125  125                 0.31686      0.15843      4.31046   0.00000
  126  126                 0.34704      0.17352      4.72102   0.00000
  127  127                 0.35287      0.17643      4.80023   0.00000
  128  128                 0.39935      0.19968      5.43260   0.00000
  129  129                 0.43158      0.21579      5.87095   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56894   0.00000
  133  133                 0.54707      0.27353      7.44202   0.00000
  134  134                 0.56220      0.28110      7.64795   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72733   0.00000
  137  137                 0.57668      0.28834      7.84492   0.00000
  138  138                 0.63435      0.31717      8.62937   0.00000
  139  139                 0.66860      0.33430      9.09535   0.00000
  140  140                 0.69079      0.34540      9.39722   0.00000
  141  141                 0.71736      0.35868      9.75863   0.00000
  142  142                 0.74081      0.37041     10.07764   0.00000
  143  143                 0.79577      0.39788     10.82525   0.00000
  144  144                 0.82923      0.41461     11.28043   0.00000
  145  145                 0.84956      0.42478     11.55699   0.00000
  146  146                 0.85277      0.42639     11.60073   0.00000
  147  147                 0.85921      0.42960     11.68823   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91428      0.45714     12.43737   0.00000
  151  151                 0.92996      0.46498     12.65077   0.00000
  152  152                 0.93885      0.46942     12.77163   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42625   0.00000
  155  155                 1.01793      0.50897     13.84744   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50057   0.00000
  158  158                 1.06979      0.53490     14.55295   0.00000
  159  159                 1.14735      0.57367     15.60797   0.00000
  160  160                 1.15445      0.57723     15.70462   0.00000
  161  161                 1.16355      0.58177     15.82836   0.00000
  162  162                 1.18389      0.59194     16.10506   0.00000
  163  163                 1.20926      0.60463     16.45025   0.00000
  164  164                 1.22994      0.61497     16.73147   0.00000
  165  165                 1.27089      0.63544     17.28857   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10503   0.00000
  168  168                 1.34813      0.67406     18.33931   0.00000
  169  169                 1.34890      0.67445     18.34987   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77336   0.00000
  172  172                 1.39899      0.69950     19.03121   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73278     19.93667   0.00000
  175  175                 1.47148      0.73574     20.01729   0.00000
  176  176                 1.50334      0.75167     20.45073   0.00000
  177  177                 1.55958      0.77979     21.21573   0.00000
  178  178                 1.58183      0.79092     21.51854   0.00000
  179  179                 1.60524      0.80262     21.83689   0.00000
  180  180                 1.61742      0.80871     22.00266   0.00000
  181  181                 1.67033      0.83516     22.72233   0.00000
  182  182                 1.68158      0.84079     22.87537   0.00000
  183  183                 1.72883      0.86441     23.51816   0.00000
  184  184                 1.78052      0.89026     24.22138   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11391   0.00000
  188  188                 1.99683      0.99841     27.16392   0.00000
  189  189                 2.07263      1.03632     28.19514   0.00000
  190  190                 2.09322      1.04661     28.47515   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    7    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.33622E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67433 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249101E+03   -0.1298789126E-03    0.0000000000E+00


              2   E=       -2.37576 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84381E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895744693E+02   -0.8993197366E-05    0.0000000000E+00


              3   E=       -2.14056 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86994E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27652E+01   0.12921E+02   0.88472E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216345429E-04   -0.4636521930E-11   -0.4298240249E-10


 ***TOTAL****    0.2352732139E+01    0.2339965820E+01   -0.7189914049E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25580 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654889E+04   -0.3695709164E-03    0.0000000000E+00


              2   E=       -2.04955 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74934E+01   0.41759E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926966436E+02   -0.1850903445E-04    0.0000000000E+00


              3   E=       -1.61821 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72268E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804062652E-03   -0.1987926062E-10   -0.1843775078E-09


 ***TOTAL****    0.2353426998E+01    0.2339965820E+01   -0.7822366252E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86040 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117644E+03   -0.1300289215E-03    0.0000000000E+00


              2   E=       -2.51060 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12514E+02   0.77637E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002152413E+02   -0.9323666006E-05    0.0000000000E+00


              3   E=       -2.27841 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81928E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79018E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495114797E-04   -0.4943072501E-11   -0.4582424916E-10


 ***TOTAL****    0.2352731513E+01    0.2339965820E+01   -0.7126071909E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73946 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468720E+04   -0.3695134203E-03    0.0000000000E+00


              2   E=       -1.60344 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90389E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452561671E+02   -0.1702753360E-04    0.0000000000E+00


              3   E=       -1.18082 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541173653E-03   -0.1698244067E-10   -0.1575098821E-09


 ***TOTAL****    0.2353431471E+01    0.2339965820E+01   -0.7868073875E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239335E+04   -0.3694425761E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294538542E+02   -0.1653404902E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287374E-03   -0.1600298725E-10   -0.1484255800E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660750394E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28386 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664664E+04   -0.3695739354E-03    0.0000000000E+00


              2   E=       -2.07333 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20555E+01   0.74216E+01   0.41112E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953744577E+02   -0.1859265895E-04    0.0000000000E+00


              3   E=       -1.64166 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96237E+00   0.10000E+01   0.13644E+01   0.22878E+01   0.10127E+02   0.70520E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818821271E-03   -0.2004188847E-10   -0.1858858599E-09


 ***TOTAL****    0.2353426187E+01    0.2339965820E+01   -0.7814073778E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73192 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586893E+03   -0.1299201324E-03    0.0000000000E+00


              2   E=       -2.41743 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32703E+01   0.89093E+00   0.10000E+01   0.15877E+01   0.28903E+01   0.12977E+02   0.82182E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928888204E+02   -0.9096130545E-05    0.0000000000E+00


              3   E=       -2.18313 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87985E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12619E+02   0.85354E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302710079E-04   -0.4731493367E-11   -0.4386282576E-10


 ***TOTAL****    0.2352731000E+01    0.2339965820E+01   -0.7073812960E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18957 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534479E+04   -0.3695337288E-03    0.0000000000E+00


              2   E=       -1.99369 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76663E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864877585E+02   -0.1831513914E-04    0.0000000000E+00


              3   E=       -1.56324 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30458E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76605E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769903569E-03   -0.1950285547E-10   -0.1808863990E-09


 ***TOTAL****    0.2353419910E+01    0.2339965820E+01   -0.7749923951E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28118 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228694942E+03   -0.1302932030E-03    0.0000000000E+00


              2   E=       -2.80587 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93290E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250230895E+02   -0.1009411929E-04    0.0000000000E+00


              3   E=       -2.58284 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61874E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195245753E-04   -0.5712976161E-11   -0.5296156475E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170438137E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238217973E+03   -0.1305866253E-03    0.0000000000E+00


              2   E=       -2.99747 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95379E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416436635E+02   -0.1061030327E-04    0.0000000000E+00


              3   E=       -2.78192 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23322E+01   0.92215E+01   0.53310E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706107998E-04   -0.6274749705E-11   -0.5816943140E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744552703E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   4TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59733        0.59731        0.59731
    3    1  210        1.67276        1.67271        1.67271
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54957        4.64875        1.54958
    6    2  210        4.24258       12.72787        4.24262
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43805        2.62827        0.43804
    9    3  210        1.55509        9.33041        1.55507
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09605        1.69868
   12    4  210        4.99529       14.98592        4.99531
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25416        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54258        1.54259        1.54259
   18    6  210        4.20369        4.20374        4.20374
   19    7  100        2.00042        6.00126        2.00042
   20    7  200        0.57231        1.71689        0.57230
   21    7  210        1.61271        4.83804        1.61268
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61526        9.69164        1.61527
   24    8  210        4.28441       25.70665        4.28444
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43111        1.29331        0.43110
   27    9  210        0.97626        2.92875        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21040        1.26240        0.21040
   30   10  210        0.81564        4.89384        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.180695E-04 0.953301E-09 0.952952E-09 0.365347E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.333764E-04 0.523408E-09 0.523580E-09 0.328871E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663990E+02 0.663989E+02 0.152168E-04 0.515305E-09 0.515211E-09 0.182375E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.305737E-04 0.648757E-09 0.648866E-09 0.169332E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.184045E+03 0.184045E+03 0.227873E-04 0.860596E-09 0.860621E-09 0.294491E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.305187E-04 0.461282E-09 0.461467E-09 0.401900E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.168782E-04 0.781561E-09 0.781326E-09 0.300439E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.325459E-04 0.697717E-09 0.697863E-09 0.208556E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666042E+02 0.666041E+02 0.114110E-04 0.626541E-09 0.626462E-09 0.126132E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.592922E+02 0.592922E+02 0.908003E-05 0.589985E-09 0.589953E-09 0.549851E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93801   2.00000
    2    2               -28.44311    -14.22155   -386.92666   2.00000
    3    3               -28.12279    -14.06139   -382.56920   2.00000
    4    4               -28.12276    -14.06138   -382.56881   2.00000
    5    5               -28.10844    -14.05422   -382.37399   2.00000
    6    6               -27.95985    -13.97992   -380.35262   2.00000
    7    7               -27.95942    -13.97971   -380.34675   2.00000
    8    8               -27.64836    -13.82418   -376.11536   2.00000
    9    9               -27.64831    -13.82416   -376.11465   2.00000
   10   10               -27.63431    -13.81716   -375.92418   2.00000
   11   11               -27.63413    -13.81706   -375.92167   2.00000
   12   12               -27.59537    -13.79768   -375.39444   2.00000
   13   13               -27.17356    -13.58678   -369.65632   2.00000
   14   14               -27.17326    -13.58663   -369.65225   2.00000
   15   15               -27.15584    -13.57792   -369.41527   2.00000
   16   16               -27.15038    -13.57519   -369.34094   2.00000
   17   17               -27.14980    -13.57490   -369.33315   2.00000
   18   18               -27.00379    -13.50189   -367.34682   2.00000
   19   19               -27.00354    -13.50177   -367.34347   2.00000
   20   20               -13.34810     -6.67405   -181.58133   2.00000
   21   21               -13.34771     -6.67385   -181.57596   2.00000
   22   22               -13.10311     -6.55155   -178.24849   2.00000
   23   23               -13.10286     -6.55143   -178.24512   2.00000
   24   24               -13.03176     -6.51588   -177.27791   2.00000
   25   25               -13.03160     -6.51580   -177.27570   2.00000
   26   26               -13.02076     -6.51038   -177.12826   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75548   2.00000
   29   29               -12.55226     -6.27613   -170.75504   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67224   2.00000
   32   32               -12.40086     -6.20043   -168.69549   2.00000
   33   33               -12.40069     -6.20035   -168.69317   2.00000
   34   34               -12.15379     -6.07690   -165.33446   2.00000
   35   35               -12.07392     -6.03696   -164.24796   2.00000
   36   36               -12.07349     -6.03674   -164.24203   2.00000
   37   37               -11.92148     -5.96074   -162.17420   2.00000
   38   38               -11.92134     -5.96067   -162.17224   2.00000
   39   39                -2.47835     -1.23918    -33.71436   2.00000
   40   40                -2.46134     -1.23067    -33.48286   2.00000
   41   41                -2.15916     -1.07958    -29.37219   2.00000
   42   42                -2.05425     -1.02713    -27.94507   2.00000
   43   43                -2.03966     -1.01983    -27.74655   2.00000
   44   44                -1.97909     -0.98955    -26.92265   2.00000
   45   45                -1.91596     -0.95798    -26.06379   2.00000
   46   46                -1.74436     -0.87218    -23.72949   2.00000
   47   47                -1.73788     -0.86894    -23.64130   2.00000
   48   48                -1.60487     -0.80244    -21.83192   2.00000
   49   49                -1.59419     -0.79709    -21.68660   2.00000
   50   50                -1.55925     -0.77963    -21.21134   2.00000
   51   51                -1.50839     -0.75420    -20.51944   2.00000
   52   52                -1.46644     -0.73322    -19.94871   2.00000
   53   53                -1.44133     -0.72067    -19.60720   2.00000
   54   54                -1.43524     -0.71762    -19.52439   2.00000
   55   55                -1.29397     -0.64698    -17.60256   2.00000
   56   56                -1.28370     -0.64185    -17.46286   2.00000
   57   57                -1.27527     -0.63763    -17.34817   2.00000
   58   58                -1.27199     -0.63600    -17.30359   2.00000
   59   59                -1.23339     -0.61670    -16.77848   2.00000
   60   60                -1.22783     -0.61392    -16.70287   2.00000
   61   61                -1.22150     -0.61075    -16.61675   2.00000
   62   62                -1.20633     -0.60317    -16.41036   2.00000
   63   63                -1.16789     -0.58395    -15.88746   2.00000
   64   64                -1.14458     -0.57229    -15.57033   2.00000
   65   65                -1.13821     -0.56911    -15.48373   2.00000
   66   66                -1.08801     -0.54400    -14.80071   2.00000
   67   67                -1.07650     -0.53825    -14.64423   2.00000
   68   68                -1.05958     -0.52979    -14.41399   2.00000
   69   69                -1.01722     -0.50861    -13.83781   2.00000
   70   70                -1.01089     -0.50545    -13.75170   2.00000
   71   71                -0.99278     -0.49639    -13.50532   2.00000
   72   72                -0.98573     -0.49286    -13.40937   2.00000
   73   73                -0.98364     -0.49182    -13.38098   2.00000
   74   74                -0.97561     -0.48780    -13.27169   2.00000
   75   75                -0.91255     -0.45628    -12.41393   2.00000
   76   76                -0.85516     -0.42758    -11.63314   2.00000
   77   77                -0.81622     -0.40811    -11.10345   2.00000
   78   78                -0.80026     -0.40013    -10.88639   2.00000
   79   79                -0.78861     -0.39430    -10.72782   2.00000
   80   80                -0.78647     -0.39324    -10.69878   2.00000
   81   81                -0.78309     -0.39154    -10.65274   2.00000
   82   82                -0.75876     -0.37938    -10.32183   2.00000
   83   83                -0.75275     -0.37637    -10.24002   2.00000
   84   84                -0.72467     -0.36234     -9.85812   2.00000
   85   85                -0.71774     -0.35887     -9.76373   2.00000
   86   86                -0.69712     -0.34856     -9.48327   2.00000
   87   87                -0.61296     -0.30648     -8.33842   2.00000
   88   88                -0.57854     -0.28927     -7.87013   2.00000
   89   89                -0.56284     -0.28142     -7.65667   2.00000
   90   90                -0.53160     -0.26580     -7.23158   2.00000
   91   91                -0.52730     -0.26365     -7.17313   2.00000
   92   92                -0.48975     -0.24487     -6.66233   2.00000
   93   93                -0.48095     -0.24047     -6.54261   2.00000
   94   94                -0.45800     -0.22900     -6.23039   2.00000
   95   95                -0.45436     -0.22718     -6.18092   2.00000
   96   96                -0.40552     -0.20276     -5.51646   2.00000
   97   97                -0.36031     -0.18015     -4.90144   2.00000
   98   98                -0.35065     -0.17533     -4.77012   2.00000
   99   99                -0.33483     -0.16741     -4.55482   2.00000
  100  100                -0.25480     -0.12740     -3.46613   2.00000
  101  101                -0.24430     -0.12215     -3.32335   2.00000
  102  102                -0.23639     -0.11820     -3.21575   2.00000
  103  103                -0.17923     -0.08961     -2.43813   2.00000
  104  104                -0.16628     -0.08314     -2.26204   2.00000
  105  105                -0.14101     -0.07051     -1.91824   2.00000
  106  106                -0.13141     -0.06571     -1.78766   2.00000
  107  107                -0.12623     -0.06311     -1.71714   2.00000
  108  108                -0.10166     -0.05083     -1.38292   2.00000
  109  109                -0.09085     -0.04542     -1.23588   2.00000
  110  110                -0.07155     -0.03577     -0.97329   2.00000
  111  111                -0.04976     -0.02488     -0.67689   2.00000
  112  112                -0.04186     -0.02093     -0.56938   2.00000
  113  113                -0.03335     -0.01668     -0.45374   2.00000
  114  114                -0.02860     -0.01430     -0.38910   2.00000
  115  115                -0.01379     -0.00689     -0.18754   0.00000
  116  116                 0.00094      0.00047      0.01279   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30120   0.00000
  119  119                 0.02504      0.01252      0.34060   0.00000
  120  120                 0.14777      0.07389      2.01023   0.00000
  121  121                 0.14941      0.07470      2.03248   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65525   0.00000
  124  124                 0.23481      0.11741      3.19430   0.00000
  125  125                 0.31686      0.15843      4.31045   0.00000
  126  126                 0.34704      0.17352      4.72101   0.00000
  127  127                 0.35287      0.17643      4.80022   0.00000
  128  128                 0.39935      0.19968      5.43260   0.00000
  129  129                 0.43157      0.21579      5.87094   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56893   0.00000
  133  133                 0.54707      0.27353      7.44202   0.00000
  134  134                 0.56220      0.28110      7.64794   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72733   0.00000
  137  137                 0.57668      0.28834      7.84491   0.00000
  138  138                 0.63435      0.31717      8.62937   0.00000
  139  139                 0.66860      0.33430      9.09535   0.00000
  140  140                 0.69079      0.34540      9.39721   0.00000
  141  141                 0.71736      0.35868      9.75863   0.00000
  142  142                 0.74081      0.37041     10.07763   0.00000
  143  143                 0.79577      0.39788     10.82525   0.00000
  144  144                 0.82923      0.41461     11.28042   0.00000
  145  145                 0.84956      0.42478     11.55700   0.00000
  146  146                 0.85277      0.42639     11.60072   0.00000
  147  147                 0.85921      0.42960     11.68822   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91427      0.45714     12.43736   0.00000
  151  151                 0.92996      0.46498     12.65077   0.00000
  152  152                 0.93885      0.46942     12.77163   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42624   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50057   0.00000
  158  158                 1.06979      0.53490     14.55294   0.00000
  159  159                 1.14735      0.57367     15.60796   0.00000
  160  160                 1.15445      0.57723     15.70461   0.00000
  161  161                 1.16355      0.58177     15.82836   0.00000
  162  162                 1.18389      0.59194     16.10506   0.00000
  163  163                 1.20926      0.60463     16.45024   0.00000
  164  164                 1.22994      0.61497     16.73147   0.00000
  165  165                 1.27089      0.63544     17.28857   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10502   0.00000
  168  168                 1.34813      0.67406     18.33931   0.00000
  169  169                 1.34890      0.67445     18.34986   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77335   0.00000
  172  172                 1.39899      0.69950     19.03121   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73278     19.93666   0.00000
  175  175                 1.47148      0.73574     20.01730   0.00000
  176  176                 1.50334      0.75167     20.45072   0.00000
  177  177                 1.55958      0.77979     21.21573   0.00000
  178  178                 1.58183      0.79092     21.51853   0.00000
  179  179                 1.60524      0.80262     21.83688   0.00000
  180  180                 1.61742      0.80871     22.00265   0.00000
  181  181                 1.67033      0.83516     22.72233   0.00000
  182  182                 1.68158      0.84079     22.87536   0.00000
  183  183                 1.72883      0.86441     23.51816   0.00000
  184  184                 1.78052      0.89026     24.22137   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11391   0.00000
  188  188                 1.99683      0.99841     27.16392   0.00000
  189  189                 2.07263      1.03632     28.19514   0.00000
  190  190                 2.09322      1.04661     28.47514   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    6    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.34295E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67434 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249133E+03   -0.1298789135E-03    0.0000000000E+00


              2   E=       -2.37577 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84381E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895751254E+02   -0.8993217744E-05    0.0000000000E+00


              3   E=       -2.14057 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86994E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27652E+01   0.12921E+02   0.88472E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216360008E-04   -0.4636537962E-11   -0.4298255112E-10


 ***TOTAL****    0.2352732139E+01    0.2339965820E+01   -0.7189875800E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25579 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654896E+04   -0.3695709186E-03    0.0000000000E+00


              2   E=       -2.04954 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74934E+01   0.41759E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926962063E+02   -0.1850902080E-04    0.0000000000E+00


              3   E=       -1.61821 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72269E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804060357E-03   -0.1987923534E-10   -0.1843772733E-09


 ***TOTAL****    0.2353427000E+01    0.2339965820E+01   -0.7822382680E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86041 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117675E+03   -0.1300289225E-03    0.0000000000E+00


              2   E=       -2.51060 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12514E+02   0.77637E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002155640E+02   -0.9323676028E-05    0.0000000000E+00


              3   E=       -2.27841 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81928E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79017E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495122237E-04   -0.4943080683E-11   -0.4582432501E-10


 ***TOTAL****    0.2352731513E+01    0.2339965820E+01   -0.7126053830E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73946 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468722E+04   -0.3695134210E-03    0.0000000000E+00


              2   E=       -1.60344 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90389E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452560518E+02   -0.1702752999E-04    0.0000000000E+00


              3   E=       -1.18082 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541172963E-03   -0.1698243307E-10   -0.1575098116E-09


 ***TOTAL****    0.2353431471E+01    0.2339965820E+01   -0.7868079606E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239342E+04   -0.3694425783E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294538387E+02   -0.1653404854E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287273E-03   -0.1600298614E-10   -0.1484255697E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660750287E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28385 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664673E+04   -0.3695739382E-03    0.0000000000E+00


              2   E=       -2.07332 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20555E+01   0.74216E+01   0.41112E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953738911E+02   -0.1859264125E-04    0.0000000000E+00


              3   E=       -1.64165 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96237E+00   0.10000E+01   0.13644E+01   0.22878E+01   0.10127E+02   0.70520E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818818308E-03   -0.2004185582E-10   -0.1858855570E-09


 ***TOTAL****    0.2353426189E+01    0.2339965820E+01   -0.7814093158E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73193 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586925E+03   -0.1299201334E-03    0.0000000000E+00


              2   E=       -2.41744 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32703E+01   0.89094E+00   0.10000E+01   0.15877E+01   0.28903E+01   0.12977E+02   0.82181E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928893586E+02   -0.9096147260E-05    0.0000000000E+00


              3   E=       -2.18314 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87986E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12619E+02   0.85354E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302722188E-04   -0.4731506683E-11   -0.4386294920E-10


 ***TOTAL****    0.2352731000E+01    0.2339965820E+01   -0.7073781793E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18957 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534483E+04   -0.3695337300E-03    0.0000000000E+00


              2   E=       -1.99368 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76663E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864874879E+02   -0.1831513069E-04    0.0000000000E+00


              3   E=       -1.56324 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30458E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76605E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769902126E-03   -0.1950283957E-10   -0.1808862515E-09


 ***TOTAL****    0.2353419911E+01    0.2339965820E+01   -0.7749934025E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28119 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228694993E+03   -0.1302932045E-03    0.0000000000E+00


              2   E=       -2.80587 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93290E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250233581E+02   -0.1009412763E-04    0.0000000000E+00


              3   E=       -2.58285 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61874E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195252748E-04   -0.5712983853E-11   -0.5296163605E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170425605E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238218010E+03   -0.1305866264E-03    0.0000000000E+00


              2   E=       -2.99747 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95379E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416437875E+02   -0.1061030712E-04    0.0000000000E+00


              3   E=       -2.78192 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23322E+01   0.92215E+01   0.53309E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706111521E-04   -0.6274753580E-11   -0.5816946732E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744548127E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   5TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59733        0.59731        0.59731
    3    1  210        1.67274        1.67271        1.67271
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54957        4.64875        1.54958
    6    2  210        4.24260       12.72788        4.24263
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43805        2.62826        0.43804
    9    3  210        1.55508        9.33040        1.55507
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09605        1.69868
   12    4  210        4.99529       14.98592        4.99531
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25416        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54258        1.54259        1.54259
   18    6  210        4.20371        4.20375        4.20375
   19    7  100        2.00042        6.00126        2.00042
   20    7  200        0.57231        1.71688        0.57229
   21    7  210        1.61270        4.83802        1.61267
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61527        9.69164        1.61527
   24    8  210        4.28442       25.70666        4.28444
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43111        1.29331        0.43110
   27    9  210        0.97626        2.92875        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21040        1.26239        0.21040
   30   10  210        0.81564        4.89384        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.130905E-04 0.953181E-09 0.952916E-09 0.277959E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.232733E-04 0.523467E-09 0.523598E-09 0.250907E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663989E+02 0.663989E+02 0.108565E-04 0.515273E-09 0.515202E-09 0.137441E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.211929E-04 0.648794E-09 0.648877E-09 0.128050E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.195296E+03 0.195296E+03 0.154725E-04 0.860604E-09 0.860623E-09 0.220328E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.214503E-04 0.461346E-09 0.461488E-09 0.307748E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.120997E-04 0.781480E-09 0.781302E-09 0.228088E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.218546E-04 0.697767E-09 0.697878E-09 0.158876E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666041E+02 0.666041E+02 0.803957E-05 0.626514E-09 0.626454E-09 0.950688E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.676855E+02 0.676855E+02 0.632653E-05 0.589974E-09 0.589950E-09 0.411072E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93803   2.00000
    2    2               -28.44311    -14.22155   -386.92668   2.00000
    3    3               -28.12279    -14.06140   -382.56923   2.00000
    4    4               -28.12276    -14.06138   -382.56883   2.00000
    5    5               -28.10844    -14.05422   -382.37402   2.00000
    6    6               -27.95985    -13.97992   -380.35264   2.00000
    7    7               -27.95942    -13.97971   -380.34677   2.00000
    8    8               -27.64837    -13.82418   -376.11538   2.00000
    9    9               -27.64831    -13.82416   -376.11467   2.00000
   10   10               -27.63431    -13.81716   -375.92422   2.00000
   11   11               -27.63413    -13.81706   -375.92171   2.00000
   12   12               -27.59537    -13.79769   -375.39448   2.00000
   13   13               -27.17356    -13.58678   -369.65634   2.00000
   14   14               -27.17326    -13.58663   -369.65227   2.00000
   15   15               -27.15584    -13.57792   -369.41531   2.00000
   16   16               -27.15038    -13.57519   -369.34097   2.00000
   17   17               -27.14980    -13.57490   -369.33318   2.00000
   18   18               -27.00379    -13.50189   -367.34684   2.00000
   19   19               -27.00354    -13.50177   -367.34349   2.00000
   20   20               -13.34810     -6.67405   -181.58134   2.00000
   21   21               -13.34771     -6.67385   -181.57597   2.00000
   22   22               -13.10311     -6.55155   -178.24850   2.00000
   23   23               -13.10286     -6.55143   -178.24512   2.00000
   24   24               -13.03176     -6.51588   -177.27791   2.00000
   25   25               -13.03160     -6.51580   -177.27571   2.00000
   26   26               -13.02076     -6.51038   -177.12825   2.00000
   27   27               -12.55272     -6.27636   -170.76135   2.00000
   28   28               -12.55229     -6.27615   -170.75549   2.00000
   29   29               -12.55226     -6.27613   -170.75504   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67224   2.00000
   32   32               -12.40086     -6.20043   -168.69549   2.00000
   33   33               -12.40069     -6.20035   -168.69318   2.00000
   34   34               -12.15379     -6.07690   -165.33446   2.00000
   35   35               -12.07392     -6.03696   -164.24797   2.00000
   36   36               -12.07349     -6.03674   -164.24204   2.00000
   37   37               -11.92148     -5.96074   -162.17421   2.00000
   38   38               -11.92134     -5.96067   -162.17225   2.00000
   39   39                -2.47835     -1.23918    -33.71437   2.00000
   40   40                -2.46134     -1.23067    -33.48286   2.00000
   41   41                -2.15916     -1.07958    -29.37219   2.00000
   42   42                -2.05425     -1.02713    -27.94508   2.00000
   43   43                -2.03966     -1.01983    -27.74656   2.00000
   44   44                -1.97909     -0.98955    -26.92266   2.00000
   45   45                -1.91596     -0.95798    -26.06379   2.00000
   46   46                -1.74436     -0.87218    -23.72950   2.00000
   47   47                -1.73788     -0.86894    -23.64131   2.00000
   48   48                -1.60487     -0.80244    -21.83193   2.00000
   49   49                -1.59419     -0.79709    -21.68661   2.00000
   50   50                -1.55925     -0.77963    -21.21134   2.00000
   51   51                -1.50839     -0.75420    -20.51944   2.00000
   52   52                -1.46644     -0.73322    -19.94873   2.00000
   53   53                -1.44133     -0.72067    -19.60720   2.00000
   54   54                -1.43525     -0.71762    -19.52440   2.00000
   55   55                -1.29397     -0.64699    -17.60257   2.00000
   56   56                -1.28370     -0.64185    -17.46287   2.00000
   57   57                -1.27527     -0.63764    -17.34818   2.00000
   58   58                -1.27199     -0.63600    -17.30359   2.00000
   59   59                -1.23339     -0.61670    -16.77850   2.00000
   60   60                -1.22783     -0.61392    -16.70287   2.00000
   61   61                -1.22150     -0.61075    -16.61676   2.00000
   62   62                -1.20633     -0.60317    -16.41038   2.00000
   63   63                -1.16789     -0.58395    -15.88747   2.00000
   64   64                -1.14458     -0.57229    -15.57034   2.00000
   65   65                -1.13822     -0.56911    -15.48374   2.00000
   66   66                -1.08801     -0.54400    -14.80072   2.00000
   67   67                -1.07650     -0.53825    -14.64424   2.00000
   68   68                -1.05958     -0.52979    -14.41400   2.00000
   69   69                -1.01722     -0.50861    -13.83781   2.00000
   70   70                -1.01089     -0.50545    -13.75171   2.00000
   71   71                -0.99278     -0.49639    -13.50534   2.00000
   72   72                -0.98573     -0.49286    -13.40938   2.00000
   73   73                -0.98364     -0.49182    -13.38099   2.00000
   74   74                -0.97561     -0.48780    -13.27170   2.00000
   75   75                -0.91255     -0.45628    -12.41393   2.00000
   76   76                -0.85516     -0.42758    -11.63315   2.00000
   77   77                -0.81622     -0.40811    -11.10346   2.00000
   78   78                -0.80026     -0.40013    -10.88639   2.00000
   79   79                -0.78861     -0.39430    -10.72783   2.00000
   80   80                -0.78647     -0.39324    -10.69879   2.00000
   81   81                -0.78309     -0.39154    -10.65275   2.00000
   82   82                -0.75876     -0.37938    -10.32183   2.00000
   83   83                -0.75275     -0.37637    -10.24002   2.00000
   84   84                -0.72467     -0.36234     -9.85813   2.00000
   85   85                -0.71774     -0.35887     -9.76374   2.00000
   86   86                -0.69712     -0.34856     -9.48327   2.00000
   87   87                -0.61296     -0.30648     -8.33843   2.00000
   88   88                -0.57854     -0.28927     -7.87013   2.00000
   89   89                -0.56284     -0.28142     -7.65668   2.00000
   90   90                -0.53160     -0.26580     -7.23159   2.00000
   91   91                -0.52730     -0.26365     -7.17314   2.00000
   92   92                -0.48975     -0.24488     -6.66233   2.00000
   93   93                -0.48095     -0.24048     -6.54262   2.00000
   94   94                -0.45800     -0.22900     -6.23039   2.00000
   95   95                -0.45436     -0.22718     -6.18093   2.00000
   96   96                -0.40552     -0.20276     -5.51648   2.00000
   97   97                -0.36031     -0.18015     -4.90145   2.00000
   98   98                -0.35065     -0.17533     -4.77013   2.00000
   99   99                -0.33483     -0.16741     -4.55483   2.00000
  100  100                -0.25480     -0.12740     -3.46614   2.00000
  101  101                -0.24430     -0.12215     -3.32336   2.00000
  102  102                -0.23639     -0.11820     -3.21576   2.00000
  103  103                -0.17923     -0.08961     -2.43814   2.00000
  104  104                -0.16628     -0.08314     -2.26204   2.00000
  105  105                -0.14101     -0.07051     -1.91825   2.00000
  106  106                -0.13141     -0.06571     -1.78766   2.00000
  107  107                -0.12623     -0.06311     -1.71715   2.00000
  108  108                -0.10166     -0.05083     -1.38293   2.00000
  109  109                -0.09085     -0.04543     -1.23588   2.00000
  110  110                -0.07155     -0.03577     -0.97331   2.00000
  111  111                -0.04976     -0.02488     -0.67690   2.00000
  112  112                -0.04186     -0.02093     -0.56938   2.00000
  113  113                -0.03335     -0.01668     -0.45374   2.00000
  114  114                -0.02860     -0.01430     -0.38911   2.00000
  115  115                -0.01379     -0.00689     -0.18754   0.00000
  116  116                 0.00094      0.00047      0.01278   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30119   0.00000
  119  119                 0.02504      0.01252      0.34060   0.00000
  120  120                 0.14777      0.07389      2.01023   0.00000
  121  121                 0.14941      0.07470      2.03247   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65524   0.00000
  124  124                 0.23481      0.11741      3.19429   0.00000
  125  125                 0.31686      0.15843      4.31044   0.00000
  126  126                 0.34704      0.17352      4.72101   0.00000
  127  127                 0.35287      0.17643      4.80022   0.00000
  128  128                 0.39935      0.19968      5.43260   0.00000
  129  129                 0.43157      0.21579      5.87093   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56892   0.00000
  133  133                 0.54707      0.27353      7.44203   0.00000
  134  134                 0.56220      0.28110      7.64793   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72733   0.00000
  137  137                 0.57668      0.28834      7.84491   0.00000
  138  138                 0.63435      0.31717      8.62937   0.00000
  139  139                 0.66860      0.33430      9.09534   0.00000
  140  140                 0.69079      0.34540      9.39721   0.00000
  141  141                 0.71736      0.35868      9.75862   0.00000
  142  142                 0.74081      0.37040     10.07763   0.00000
  143  143                 0.79577      0.39788     10.82525   0.00000
  144  144                 0.82923      0.41461     11.28041   0.00000
  145  145                 0.84956      0.42478     11.55701   0.00000
  146  146                 0.85277      0.42639     11.60072   0.00000
  147  147                 0.85921      0.42960     11.68822   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91427      0.45714     12.43736   0.00000
  151  151                 0.92996      0.46498     12.65077   0.00000
  152  152                 0.93885      0.46942     12.77163   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42624   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50057   0.00000
  158  158                 1.06979      0.53490     14.55294   0.00000
  159  159                 1.14735      0.57367     15.60796   0.00000
  160  160                 1.15445      0.57723     15.70461   0.00000
  161  161                 1.16355      0.58177     15.82835   0.00000
  162  162                 1.18389      0.59194     16.10505   0.00000
  163  163                 1.20926      0.60463     16.45023   0.00000
  164  164                 1.22994      0.61497     16.73146   0.00000
  165  165                 1.27089      0.63544     17.28857   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10502   0.00000
  168  168                 1.34813      0.67406     18.33931   0.00000
  169  169                 1.34890      0.67445     18.34986   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77335   0.00000
  172  172                 1.39899      0.69950     19.03121   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73278     19.93666   0.00000
  175  175                 1.47148      0.73574     20.01730   0.00000
  176  176                 1.50334      0.75167     20.45072   0.00000
  177  177                 1.55957      0.77979     21.21572   0.00000
  178  178                 1.58183      0.79092     21.51853   0.00000
  179  179                 1.60524      0.80262     21.83688   0.00000
  180  180                 1.61742      0.80871     22.00265   0.00000
  181  181                 1.67033      0.83516     22.72232   0.00000
  182  182                 1.68157      0.84079     22.87535   0.00000
  183  183                 1.72883      0.86441     23.51816   0.00000
  184  184                 1.78052      0.89026     24.22137   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11390   0.00000
  188  188                 1.99683      0.99841     27.16392   0.00000
  189  189                 2.07263      1.03632     28.19513   0.00000
  190  190                 2.09322      1.04661     28.47514   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    5    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.34981E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67435 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249157E+03   -0.1298789143E-03    0.0000000000E+00


              2   E=       -2.37577 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84381E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895756351E+02   -0.8993233574E-05    0.0000000000E+00


              3   E=       -2.14057 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86994E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27652E+01   0.12921E+02   0.88471E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216371331E-04   -0.4636550413E-11   -0.4298266654E-10


 ***TOTAL****    0.2352732138E+01    0.2339965820E+01   -0.7189845877E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25579 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654901E+04   -0.3695709202E-03    0.0000000000E+00


              2   E=       -2.04954 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74934E+01   0.41759E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926958620E+02   -0.1850901004E-04    0.0000000000E+00


              3   E=       -1.61820 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72269E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804058547E-03   -0.1987921539E-10   -0.1843770883E-09


 ***TOTAL****    0.2353427001E+01    0.2339965820E+01   -0.7822395331E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86041 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117698E+03   -0.1300289232E-03    0.0000000000E+00


              2   E=       -2.51060 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12513E+02   0.77637E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002158120E+02   -0.9323683730E-05    0.0000000000E+00


              3   E=       -2.27842 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81929E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79017E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495127944E-04   -0.4943086958E-11   -0.4582438319E-10


 ***TOTAL****    0.2352731512E+01    0.2339965820E+01   -0.7126039921E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73945 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468723E+04   -0.3695134213E-03    0.0000000000E+00


              2   E=       -1.60344 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90389E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452559473E+02   -0.1702752673E-04    0.0000000000E+00


              3   E=       -1.18082 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541172342E-03   -0.1698242623E-10   -0.1575097482E-09


 ***TOTAL****    0.2353431471E+01    0.2339965820E+01   -0.7868083803E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239349E+04   -0.3694425803E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294538271E+02   -0.1653404817E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287197E-03   -0.1600298530E-10   -0.1484255620E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660750250E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28384 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664680E+04   -0.3695739403E-03    0.0000000000E+00


              2   E=       -2.07332 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20555E+01   0.74216E+01   0.41112E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953734535E+02   -0.1859262759E-04    0.0000000000E+00


              3   E=       -1.64164 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96237E+00   0.10000E+01   0.13644E+01   0.22878E+01   0.10127E+02   0.70521E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818816020E-03   -0.2004183061E-10   -0.1858853232E-09


 ***TOTAL****    0.2353426190E+01    0.2339965820E+01   -0.7814108325E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73194 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586951E+03   -0.1299201342E-03    0.0000000000E+00


              2   E=       -2.41744 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32704E+01   0.89094E+00   0.10000E+01   0.15877E+01   0.28903E+01   0.12977E+02   0.82181E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928897794E+02   -0.9096160329E-05    0.0000000000E+00


              3   E=       -2.18315 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87986E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12619E+02   0.85354E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302731672E-04   -0.4731517112E-11   -0.4386304589E-10


 ***TOTAL****    0.2352731000E+01    0.2339965820E+01   -0.7073757269E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18956 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534486E+04   -0.3695337310E-03    0.0000000000E+00


              2   E=       -1.99368 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76663E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864872907E+02   -0.1831512453E-04    0.0000000000E+00


              3   E=       -1.56324 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30457E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76605E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769901081E-03   -0.1950282806E-10   -0.1808861447E-09


 ***TOTAL****    0.2353419912E+01    0.2339965820E+01   -0.7749941990E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28119 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228695032E+03   -0.1302932057E-03    0.0000000000E+00


              2   E=       -2.80587 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93290E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64889E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250235666E+02   -0.1009413410E-04    0.0000000000E+00


              3   E=       -2.58285 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61874E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195258184E-04   -0.5712989831E-11   -0.5296169147E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170415619E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238218037E+03   -0.1305866272E-03    0.0000000000E+00


              2   E=       -2.99748 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95379E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416438820E+02   -0.1061031006E-04    0.0000000000E+00


              3   E=       -2.78192 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23322E+01   0.92215E+01   0.53309E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706114202E-04   -0.6274756528E-11   -0.5816949464E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744544583E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   6TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59732        0.59731        0.59731
    3    1  210        1.67273        1.67271        1.67271
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54958        4.64875        1.54958
    6    2  210        4.24261       12.72789        4.24263
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43805        2.62825        0.43804
    9    3  210        1.55508        9.33039        1.55507
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09605        1.69868
   12    4  210        4.99530       14.98593        4.99531
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25417        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54258        1.54259        1.54259
   18    6  210        4.20373        4.20375        4.20375
   19    7  100        2.00042        6.00127        2.00042
   20    7  200        0.57230        1.71688        0.57229
   21    7  210        1.61269        4.83802        1.61267
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61527        9.69164        1.61527
   24    8  210        4.28443       25.70668        4.28445
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43111        1.29330        0.43110
   27    9  210        0.97626        2.92875        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21040        1.26239        0.21040
   30   10  210        0.81564        4.89384        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.943230E-05 0.953089E-09 0.952888E-09 0.210162E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.160603E-04 0.523513E-09 0.523612E-09 0.190268E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663989E+02 0.663989E+02 0.775872E-05 0.515248E-09 0.515195E-09 0.102998E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.142882E-04 0.648823E-09 0.648886E-09 0.966629E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.195296E+03 0.195296E+03 0.115569E-04 0.860611E-09 0.860625E-09 0.163732E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.150782E-04 0.461395E-09 0.461503E-09 0.233991E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.859257E-05 0.781418E-09 0.781284E-09 0.172125E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.148589E-04 0.697806E-09 0.697889E-09 0.119953E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666041E+02 0.666041E+02 0.568145E-05 0.626493E-09 0.626448E-09 0.712475E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.676855E+02 0.676855E+02 0.467045E-05 0.589966E-09 0.589948E-09 0.306184E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93804   2.00000
    2    2               -28.44311    -14.22155   -386.92669   2.00000
    3    3               -28.12279    -14.06140   -382.56925   2.00000
    4    4               -28.12276    -14.06138   -382.56885   2.00000
    5    5               -28.10844    -14.05422   -382.37403   2.00000
    6    6               -27.95985    -13.97992   -380.35265   2.00000
    7    7               -27.95942    -13.97971   -380.34678   2.00000
    8    8               -27.64837    -13.82418   -376.11541   2.00000
    9    9               -27.64832    -13.82416   -376.11470   2.00000
   10   10               -27.63432    -13.81716   -375.92424   2.00000
   11   11               -27.63413    -13.81707   -375.92173   2.00000
   12   12               -27.59537    -13.79769   -375.39451   2.00000
   13   13               -27.17356    -13.58678   -369.65636   2.00000
   14   14               -27.17326    -13.58663   -369.65229   2.00000
   15   15               -27.15584    -13.57792   -369.41533   2.00000
   16   16               -27.15038    -13.57519   -369.34099   2.00000
   17   17               -27.14981    -13.57490   -369.33320   2.00000
   18   18               -27.00379    -13.50189   -367.34685   2.00000
   19   19               -27.00354    -13.50177   -367.34350   2.00000
   20   20               -13.34810     -6.67405   -181.58135   2.00000
   21   21               -13.34771     -6.67386   -181.57598   2.00000
   22   22               -13.10311     -6.55155   -178.24851   2.00000
   23   23               -13.10286     -6.55143   -178.24513   2.00000
   24   24               -13.03176     -6.51588   -177.27791   2.00000
   25   25               -13.03160     -6.51580   -177.27571   2.00000
   26   26               -13.02076     -6.51038   -177.12826   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75549   2.00000
   29   29               -12.55226     -6.27613   -170.75505   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67225   2.00000
   32   32               -12.40086     -6.20043   -168.69550   2.00000
   33   33               -12.40069     -6.20035   -168.69318   2.00000
   34   34               -12.15379     -6.07690   -165.33447   2.00000
   35   35               -12.07392     -6.03696   -164.24797   2.00000
   36   36               -12.07349     -6.03674   -164.24204   2.00000
   37   37               -11.92148     -5.96074   -162.17421   2.00000
   38   38               -11.92134     -5.96067   -162.17226   2.00000
   39   39                -2.47836     -1.23918    -33.71438   2.00000
   40   40                -2.46134     -1.23067    -33.48287   2.00000
   41   41                -2.15916     -1.07958    -29.37220   2.00000
   42   42                -2.05425     -1.02713    -27.94509   2.00000
   43   43                -2.03966     -1.01983    -27.74656   2.00000
   44   44                -1.97909     -0.98955    -26.92266   2.00000
   45   45                -1.91596     -0.95798    -26.06379   2.00000
   46   46                -1.74436     -0.87218    -23.72950   2.00000
   47   47                -1.73788     -0.86894    -23.64132   2.00000
   48   48                -1.60487     -0.80244    -21.83193   2.00000
   49   49                -1.59419     -0.79710    -21.68662   2.00000
   50   50                -1.55925     -0.77963    -21.21135   2.00000
   51   51                -1.50839     -0.75420    -20.51945   2.00000
   52   52                -1.46644     -0.73322    -19.94874   2.00000
   53   53                -1.44133     -0.72067    -19.60720   2.00000
   54   54                -1.43525     -0.71762    -19.52441   2.00000
   55   55                -1.29397     -0.64699    -17.60258   2.00000
   56   56                -1.28370     -0.64185    -17.46288   2.00000
   57   57                -1.27527     -0.63764    -17.34819   2.00000
   58   58                -1.27199     -0.63600    -17.30360   2.00000
   59   59                -1.23339     -0.61670    -16.77850   2.00000
   60   60                -1.22783     -0.61392    -16.70288   2.00000
   61   61                -1.22150     -0.61075    -16.61676   2.00000
   62   62                -1.20633     -0.60317    -16.41038   2.00000
   63   63                -1.16789     -0.58395    -15.88748   2.00000
   64   64                -1.14458     -0.57229    -15.57035   2.00000
   65   65                -1.13822     -0.56911    -15.48375   2.00000
   66   66                -1.08801     -0.54400    -14.80073   2.00000
   67   67                -1.07650     -0.53825    -14.64424   2.00000
   68   68                -1.05958     -0.52979    -14.41401   2.00000
   69   69                -1.01722     -0.50861    -13.83782   2.00000
   70   70                -1.01089     -0.50545    -13.75172   2.00000
   71   71                -0.99278     -0.49639    -13.50535   2.00000
   72   72                -0.98573     -0.49286    -13.40939   2.00000
   73   73                -0.98364     -0.49182    -13.38100   2.00000
   74   74                -0.97561     -0.48780    -13.27171   2.00000
   75   75                -0.91255     -0.45628    -12.41394   2.00000
   76   76                -0.85516     -0.42758    -11.63315   2.00000
   77   77                -0.81622     -0.40811    -11.10347   2.00000
   78   78                -0.80026     -0.40013    -10.88639   2.00000
   79   79                -0.78861     -0.39430    -10.72784   2.00000
   80   80                -0.78647     -0.39324    -10.69880   2.00000
   81   81                -0.78309     -0.39154    -10.65276   2.00000
   82   82                -0.75876     -0.37938    -10.32184   2.00000
   83   83                -0.75275     -0.37637    -10.24002   2.00000
   84   84                -0.72467     -0.36234     -9.85813   2.00000
   85   85                -0.71774     -0.35887     -9.76375   2.00000
   86   86                -0.69712     -0.34856     -9.48328   2.00000
   87   87                -0.61296     -0.30648     -8.33844   2.00000
   88   88                -0.57854     -0.28927     -7.87014   2.00000
   89   89                -0.56285     -0.28142     -7.65668   2.00000
   90   90                -0.53160     -0.26580     -7.23159   2.00000
   91   91                -0.52730     -0.26365     -7.17314   2.00000
   92   92                -0.48975     -0.24488     -6.66234   2.00000
   93   93                -0.48095     -0.24048     -6.54263   2.00000
   94   94                -0.45800     -0.22900     -6.23040   2.00000
   95   95                -0.45436     -0.22718     -6.18093   2.00000
   96   96                -0.40552     -0.20276     -5.51648   2.00000
   97   97                -0.36031     -0.18015     -4.90146   2.00000
   98   98                -0.35065     -0.17533     -4.77014   2.00000
   99   99                -0.33483     -0.16741     -4.55483   2.00000
  100  100                -0.25480     -0.12740     -3.46615   2.00000
  101  101                -0.24430     -0.12215     -3.32337   2.00000
  102  102                -0.23639     -0.11820     -3.21576   2.00000
  103  103                -0.17923     -0.08961     -2.43814   2.00000
  104  104                -0.16628     -0.08314     -2.26204   2.00000
  105  105                -0.14101     -0.07051     -1.91825   2.00000
  106  106                -0.13141     -0.06571     -1.78767   2.00000
  107  107                -0.12623     -0.06311     -1.71715   2.00000
  108  108                -0.10166     -0.05083     -1.38294   2.00000
  109  109                -0.09085     -0.04543     -1.23588   2.00000
  110  110                -0.07155     -0.03577     -0.97332   2.00000
  111  111                -0.04976     -0.02488     -0.67690   2.00000
  112  112                -0.04186     -0.02093     -0.56939   2.00000
  113  113                -0.03336     -0.01668     -0.45375   2.00000
  114  114                -0.02860     -0.01430     -0.38912   2.00000
  115  115                -0.01379     -0.00689     -0.18755   0.00000
  116  116                 0.00094      0.00047      0.01278   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30119   0.00000
  119  119                 0.02504      0.01252      0.34059   0.00000
  120  120                 0.14777      0.07389      2.01023   0.00000
  121  121                 0.14941      0.07470      2.03247   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65523   0.00000
  124  124                 0.23481      0.11741      3.19429   0.00000
  125  125                 0.31686      0.15843      4.31044   0.00000
  126  126                 0.34704      0.17352      4.72100   0.00000
  127  127                 0.35287      0.17643      4.80021   0.00000
  128  128                 0.39935      0.19968      5.43261   0.00000
  129  129                 0.43157      0.21579      5.87093   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56892   0.00000
  133  133                 0.54707      0.27353      7.44203   0.00000
  134  134                 0.56220      0.28110      7.64793   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72734   0.00000
  137  137                 0.57668      0.28834      7.84491   0.00000
  138  138                 0.63435      0.31717      8.62937   0.00000
  139  139                 0.66860      0.33430      9.09534   0.00000
  140  140                 0.69079      0.34540      9.39721   0.00000
  141  141                 0.71736      0.35868      9.75862   0.00000
  142  142                 0.74081      0.37040     10.07763   0.00000
  143  143                 0.79577      0.39788     10.82525   0.00000
  144  144                 0.82923      0.41461     11.28041   0.00000
  145  145                 0.84956      0.42478     11.55701   0.00000
  146  146                 0.85277      0.42639     11.60071   0.00000
  147  147                 0.85921      0.42960     11.68822   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91427      0.45714     12.43736   0.00000
  151  151                 0.92996      0.46498     12.65077   0.00000
  152  152                 0.93885      0.46942     12.77163   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42623   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50057   0.00000
  158  158                 1.06979      0.53490     14.55294   0.00000
  159  159                 1.14735      0.57367     15.60796   0.00000
  160  160                 1.15445      0.57723     15.70460   0.00000
  161  161                 1.16355      0.58177     15.82835   0.00000
  162  162                 1.18389      0.59194     16.10505   0.00000
  163  163                 1.20926      0.60463     16.45022   0.00000
  164  164                 1.22993      0.61497     16.73146   0.00000
  165  165                 1.27089      0.63544     17.28856   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10502   0.00000
  168  168                 1.34813      0.67406     18.33932   0.00000
  169  169                 1.34890      0.67445     18.34986   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77335   0.00000
  172  172                 1.39899      0.69950     19.03121   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73277     19.93665   0.00000
  175  175                 1.47148      0.73574     20.01731   0.00000
  176  176                 1.50334      0.75167     20.45072   0.00000
  177  177                 1.55957      0.77979     21.21572   0.00000
  178  178                 1.58183      0.79092     21.51852   0.00000
  179  179                 1.60524      0.80262     21.83688   0.00000
  180  180                 1.61742      0.80871     22.00264   0.00000
  181  181                 1.67032      0.83516     22.72231   0.00000
  182  182                 1.68157      0.84079     22.87535   0.00000
  183  183                 1.72883      0.86441     23.51816   0.00000
  184  184                 1.78052      0.89026     24.22136   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11390   0.00000
  188  188                 1.99683      0.99841     27.16391   0.00000
  189  189                 2.07263      1.03632     28.19513   0.00000
  190  190                 2.09322      1.04661     28.47513   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    4    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.35680E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67435 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249176E+03   -0.1298789149E-03    0.0000000000E+00


              2   E=       -2.37578 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84380E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895760281E+02   -0.8993245779E-05    0.0000000000E+00


              3   E=       -2.14058 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86994E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27651E+01   0.12921E+02   0.88471E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216380058E-04   -0.4636560010E-11   -0.4298275551E-10


 ***TOTAL****    0.2352732138E+01    0.2339965820E+01   -0.7189822641E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25578 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654905E+04   -0.3695709215E-03    0.0000000000E+00


              2   E=       -2.04953 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74934E+01   0.41759E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926956008E+02   -0.1850900189E-04    0.0000000000E+00


              3   E=       -1.61820 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72269E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804057176E-03   -0.1987920029E-10   -0.1843769482E-09


 ***TOTAL****    0.2353427002E+01    0.2339965820E+01   -0.7822405118E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86041 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117716E+03   -0.1300289237E-03    0.0000000000E+00


              2   E=       -2.51061 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12513E+02   0.77637E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002160041E+02   -0.9323689697E-05    0.0000000000E+00


              3   E=       -2.27842 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81929E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79017E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495132375E-04   -0.4943091831E-11   -0.4582442836E-10


 ***TOTAL****    0.2352731512E+01    0.2339965820E+01   -0.7126029158E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73945 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468724E+04   -0.3695134217E-03    0.0000000000E+00


              2   E=       -1.60343 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90390E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452558794E+02   -0.1702752461E-04    0.0000000000E+00


              3   E=       -1.18082 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541171936E-03   -0.1698242175E-10   -0.1575097066E-09


 ***TOTAL****    0.2353431472E+01    0.2339965820E+01   -0.7868087313E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239353E+04   -0.3694425816E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294538174E+02   -0.1653404787E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287134E-03   -0.1600298461E-10   -0.1484255555E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660750227E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28384 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664685E+04   -0.3695739419E-03    0.0000000000E+00


              2   E=       -2.07331 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20555E+01   0.74216E+01   0.41112E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953731120E+02   -0.1859261693E-04    0.0000000000E+00


              3   E=       -1.64164 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96237E+00   0.10000E+01   0.13644E+01   0.22878E+01   0.10127E+02   0.70521E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818814232E-03   -0.2004181090E-10   -0.1858851404E-09


 ***TOTAL****    0.2353426191E+01    0.2339965820E+01   -0.7814120047E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73194 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586970E+03   -0.1299201348E-03    0.0000000000E+00


              2   E=       -2.41745 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32704E+01   0.89094E+00   0.10000E+01   0.15877E+01   0.28903E+01   0.12977E+02   0.82181E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928901019E+02   -0.9096170342E-05    0.0000000000E+00


              3   E=       -2.18315 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87986E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12619E+02   0.85353E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302738924E-04   -0.4731525087E-11   -0.4386311981E-10


 ***TOTAL****    0.2352730999E+01    0.2339965820E+01   -0.7073738304E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18956 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534489E+04   -0.3695337317E-03    0.0000000000E+00


              2   E=       -1.99368 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76663E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864871283E+02   -0.1831511946E-04    0.0000000000E+00


              3   E=       -1.56323 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30457E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76606E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769900216E-03   -0.1950281852E-10   -0.1808860563E-09


 ***TOTAL****    0.2353419912E+01    0.2339965820E+01   -0.7749947973E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28119 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228695063E+03   -0.1302932067E-03    0.0000000000E+00


              2   E=       -2.80588 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93290E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64889E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250237270E+02   -0.1009413908E-04    0.0000000000E+00


              3   E=       -2.58285 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61873E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195262365E-04   -0.5712994429E-11   -0.5296173409E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170407809E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238218059E+03   -0.1305866279E-03    0.0000000000E+00


              2   E=       -2.99748 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95380E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416439556E+02   -0.1061031234E-04    0.0000000000E+00


              3   E=       -2.78192 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23321E+01   0.92215E+01   0.53309E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706116299E-04   -0.6274758834E-11   -0.5816951602E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744541847E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   7TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59732        0.59731        0.59731
    3    1  210        1.67272        1.67270        1.67270
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54958        4.64875        1.54958
    6    2  210        4.24262       12.72790        4.24263
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43805        2.62825        0.43804
    9    3  210        1.55507        9.33038        1.55506
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09605        1.69868
   12    4  210        4.99530       14.98593        4.99531
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25417        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54259        1.54259        1.54259
   18    6  210        4.20374        4.20376        4.20376
   19    7  100        2.00042        6.00127        2.00042
   20    7  200        0.57230        1.71688        0.57229
   21    7  210        1.61268        4.83801        1.61267
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61527        9.69165        1.61527
   24    8  210        4.28444       25.70669        4.28445
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43111        1.29330        0.43110
   27    9  210        0.97625        2.92875        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21040        1.26239        0.21040
   30   10  210        0.81564        4.89383        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.679676E-05 0.953017E-09 0.952867E-09 0.157883E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.111262E-04 0.523548E-09 0.523623E-09 0.143201E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663989E+02 0.663989E+02 0.551027E-05 0.515229E-09 0.515190E-09 0.767273E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.985337E-05 0.648846E-09 0.648892E-09 0.721195E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.195296E+03 0.195296E+03 0.844826E-05 0.860616E-09 0.860626E-09 0.121237E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.104923E-04 0.461434E-09 0.461515E-09 0.176764E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.613595E-05 0.781370E-09 0.781269E-09 0.129100E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.982765E-05 0.697836E-09 0.697899E-09 0.902200E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666041E+02 0.666041E+02 0.397255E-05 0.626477E-09 0.626444E-09 0.531076E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.676855E+02 0.676855E+02 0.321958E-05 0.589959E-09 0.589946E-09 0.226511E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93805   2.00000
    2    2               -28.44311    -14.22155   -386.92670   2.00000
    3    3               -28.12279    -14.06140   -382.56926   2.00000
    4    4               -28.12276    -14.06138   -382.56887   2.00000
    5    5               -28.10844    -14.05422   -382.37405   2.00000
    6    6               -27.95985    -13.97993   -380.35266   2.00000
    7    7               -27.95942    -13.97971   -380.34679   2.00000
    8    8               -27.64837    -13.82418   -376.11542   2.00000
    9    9               -27.64832    -13.82416   -376.11471   2.00000
   10   10               -27.63432    -13.81716   -375.92426   2.00000
   11   11               -27.63413    -13.81707   -375.92175   2.00000
   12   12               -27.59538    -13.79769   -375.39453   2.00000
   13   13               -27.17356    -13.58678   -369.65638   2.00000
   14   14               -27.17326    -13.58663   -369.65231   2.00000
   15   15               -27.15584    -13.57792   -369.41535   2.00000
   16   16               -27.15038    -13.57519   -369.34100   2.00000
   17   17               -27.14981    -13.57490   -369.33321   2.00000
   18   18               -27.00379    -13.50189   -367.34686   2.00000
   19   19               -27.00354    -13.50177   -367.34351   2.00000
   20   20               -13.34811     -6.67405   -181.58135   2.00000
   21   21               -13.34771     -6.67386   -181.57598   2.00000
   22   22               -13.10311     -6.55155   -178.24851   2.00000
   23   23               -13.10286     -6.55143   -178.24514   2.00000
   24   24               -13.03176     -6.51588   -177.27792   2.00000
   25   25               -13.03160     -6.51580   -177.27571   2.00000
   26   26               -13.02076     -6.51038   -177.12826   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75550   2.00000
   29   29               -12.55226     -6.27613   -170.75505   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67225   2.00000
   32   32               -12.40086     -6.20043   -168.69550   2.00000
   33   33               -12.40069     -6.20035   -168.69319   2.00000
   34   34               -12.15379     -6.07690   -165.33448   2.00000
   35   35               -12.07392     -6.03696   -164.24797   2.00000
   36   36               -12.07349     -6.03674   -164.24204   2.00000
   37   37               -11.92148     -5.96074   -162.17422   2.00000
   38   38               -11.92134     -5.96067   -162.17226   2.00000
   39   39                -2.47836     -1.23918    -33.71438   2.00000
   40   40                -2.46134     -1.23067    -33.48288   2.00000
   41   41                -2.15916     -1.07958    -29.37221   2.00000
   42   42                -2.05425     -1.02713    -27.94509   2.00000
   43   43                -2.03966     -1.01983    -27.74657   2.00000
   44   44                -1.97909     -0.98955    -26.92267   2.00000
   45   45                -1.91596     -0.95798    -26.06380   2.00000
   46   46                -1.74436     -0.87218    -23.72951   2.00000
   47   47                -1.73788     -0.86894    -23.64133   2.00000
   48   48                -1.60487     -0.80244    -21.83193   2.00000
   49   49                -1.59419     -0.79710    -21.68662   2.00000
   50   50                -1.55925     -0.77963    -21.21135   2.00000
   51   51                -1.50839     -0.75420    -20.51945   2.00000
   52   52                -1.46644     -0.73322    -19.94875   2.00000
   53   53                -1.44133     -0.72067    -19.60721   2.00000
   54   54                -1.43525     -0.71762    -19.52441   2.00000
   55   55                -1.29397     -0.64699    -17.60259   2.00000
   56   56                -1.28370     -0.64185    -17.46288   2.00000
   57   57                -1.27527     -0.63764    -17.34820   2.00000
   58   58                -1.27199     -0.63600    -17.30361   2.00000
   59   59                -1.23339     -0.61670    -16.77851   2.00000
   60   60                -1.22783     -0.61392    -16.70288   2.00000
   61   61                -1.22150     -0.61075    -16.61676   2.00000
   62   62                -1.20633     -0.60317    -16.41039   2.00000
   63   63                -1.16789     -0.58395    -15.88749   2.00000
   64   64                -1.14458     -0.57229    -15.57036   2.00000
   65   65                -1.13822     -0.56911    -15.48376   2.00000
   66   66                -1.08801     -0.54400    -14.80073   2.00000
   67   67                -1.07650     -0.53825    -14.64425   2.00000
   68   68                -1.05958     -0.52979    -14.41401   2.00000
   69   69                -1.01722     -0.50861    -13.83783   2.00000
   70   70                -1.01089     -0.50545    -13.75173   2.00000
   71   71                -0.99278     -0.49639    -13.50535   2.00000
   72   72                -0.98573     -0.49286    -13.40939   2.00000
   73   73                -0.98364     -0.49182    -13.38101   2.00000
   74   74                -0.97561     -0.48780    -13.27171   2.00000
   75   75                -0.91255     -0.45628    -12.41394   2.00000
   76   76                -0.85516     -0.42758    -11.63316   2.00000
   77   77                -0.81622     -0.40811    -11.10347   2.00000
   78   78                -0.80026     -0.40013    -10.88640   2.00000
   79   79                -0.78861     -0.39430    -10.72784   2.00000
   80   80                -0.78647     -0.39324    -10.69880   2.00000
   81   81                -0.78309     -0.39154    -10.65277   2.00000
   82   82                -0.75876     -0.37938    -10.32184   2.00000
   83   83                -0.75275     -0.37637    -10.24003   2.00000
   84   84                -0.72467     -0.36234     -9.85814   2.00000
   85   85                -0.71774     -0.35887     -9.76375   2.00000
   86   86                -0.69712     -0.34856     -9.48328   2.00000
   87   87                -0.61296     -0.30648     -8.33844   2.00000
   88   88                -0.57854     -0.28927     -7.87014   2.00000
   89   89                -0.56285     -0.28142     -7.65669   2.00000
   90   90                -0.53160     -0.26580     -7.23160   2.00000
   91   91                -0.52730     -0.26365     -7.17314   2.00000
   92   92                -0.48975     -0.24488     -6.66234   2.00000
   93   93                -0.48095     -0.24048     -6.54264   2.00000
   94   94                -0.45800     -0.22900     -6.23040   2.00000
   95   95                -0.45436     -0.22718     -6.18094   2.00000
   96   96                -0.40552     -0.20276     -5.51649   2.00000
   97   97                -0.36031     -0.18015     -4.90146   2.00000
   98   98                -0.35065     -0.17533     -4.77015   2.00000
   99   99                -0.33483     -0.16741     -4.55484   2.00000
  100  100                -0.25480     -0.12740     -3.46616   2.00000
  101  101                -0.24430     -0.12215     -3.32337   2.00000
  102  102                -0.23639     -0.11820     -3.21577   2.00000
  103  103                -0.17923     -0.08961     -2.43815   2.00000
  104  104                -0.16628     -0.08314     -2.26204   2.00000
  105  105                -0.14101     -0.07051     -1.91825   2.00000
  106  106                -0.13141     -0.06571     -1.78767   2.00000
  107  107                -0.12623     -0.06311     -1.71715   2.00000
  108  108                -0.10166     -0.05083     -1.38295   2.00000
  109  109                -0.09085     -0.04543     -1.23588   2.00000
  110  110                -0.07155     -0.03577     -0.97332   2.00000
  111  111                -0.04976     -0.02488     -0.67691   2.00000
  112  112                -0.04186     -0.02093     -0.56939   2.00000
  113  113                -0.03336     -0.01668     -0.45375   2.00000
  114  114                -0.02861     -0.01430     -0.38913   2.00000
  115  115                -0.01379     -0.00689     -0.18755   0.00000
  116  116                 0.00094      0.00047      0.01278   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30119   0.00000
  119  119                 0.02504      0.01252      0.34059   0.00000
  120  120                 0.14777      0.07389      2.01023   0.00000
  121  121                 0.14941      0.07470      2.03246   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65522   0.00000
  124  124                 0.23481      0.11741      3.19428   0.00000
  125  125                 0.31686      0.15843      4.31044   0.00000
  126  126                 0.34704      0.17352      4.72100   0.00000
  127  127                 0.35287      0.17643      4.80021   0.00000
  128  128                 0.39935      0.19968      5.43261   0.00000
  129  129                 0.43157      0.21579      5.87092   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56892   0.00000
  133  133                 0.54707      0.27353      7.44203   0.00000
  134  134                 0.56220      0.28110      7.64793   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72734   0.00000
  137  137                 0.57668      0.28834      7.84491   0.00000
  138  138                 0.63435      0.31717      8.62937   0.00000
  139  139                 0.66860      0.33430      9.09534   0.00000
  140  140                 0.69079      0.34540      9.39720   0.00000
  141  141                 0.71736      0.35868      9.75862   0.00000
  142  142                 0.74081      0.37040     10.07762   0.00000
  143  143                 0.79577      0.39788     10.82525   0.00000
  144  144                 0.82923      0.41461     11.28041   0.00000
  145  145                 0.84956      0.42478     11.55701   0.00000
  146  146                 0.85277      0.42639     11.60071   0.00000
  147  147                 0.85920      0.42960     11.68822   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91427      0.45714     12.43736   0.00000
  151  151                 0.92996      0.46498     12.65076   0.00000
  152  152                 0.93885      0.46942     12.77163   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42623   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50058   0.00000
  158  158                 1.06979      0.53490     14.55294   0.00000
  159  159                 1.14735      0.57367     15.60795   0.00000
  160  160                 1.15445      0.57723     15.70460   0.00000
  161  161                 1.16355      0.58177     15.82835   0.00000
  162  162                 1.18389      0.59194     16.10505   0.00000
  163  163                 1.20926      0.60463     16.45022   0.00000
  164  164                 1.22993      0.61497     16.73145   0.00000
  165  165                 1.27089      0.63544     17.28856   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10502   0.00000
  168  168                 1.34813      0.67406     18.33932   0.00000
  169  169                 1.34890      0.67445     18.34986   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77335   0.00000
  172  172                 1.39899      0.69950     19.03121   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73277     19.93665   0.00000
  175  175                 1.47148      0.73574     20.01731   0.00000
  176  176                 1.50334      0.75167     20.45072   0.00000
  177  177                 1.55957      0.77979     21.21572   0.00000
  178  178                 1.58183      0.79092     21.51852   0.00000
  179  179                 1.60524      0.80262     21.83688   0.00000
  180  180                 1.61742      0.80871     22.00264   0.00000
  181  181                 1.67032      0.83516     22.72231   0.00000
  182  182                 1.68157      0.84079     22.87534   0.00000
  183  183                 1.72883      0.86441     23.51816   0.00000
  184  184                 1.78052      0.89026     24.22135   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11390   0.00000
  188  188                 1.99683      0.99841     27.16391   0.00000
  189  189                 2.07263      1.03632     28.19513   0.00000
  190  190                 2.09322      1.04661     28.47513   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    3    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.36394E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67436 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249191E+03   -0.1298789153E-03    0.0000000000E+00


              2   E=       -2.37578 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84380E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895763295E+02   -0.8993255140E-05    0.0000000000E+00


              3   E=       -2.14058 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86994E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27651E+01   0.12921E+02   0.88470E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216386749E-04   -0.4636567369E-11   -0.4298282373E-10


 ***TOTAL****    0.2352732138E+01    0.2339965820E+01   -0.7189804726E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25578 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654908E+04   -0.3695709224E-03    0.0000000000E+00


              2   E=       -2.04953 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74934E+01   0.41759E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926953971E+02   -0.1850899553E-04    0.0000000000E+00


              3   E=       -1.61819 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72269E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804056105E-03   -0.1987918848E-10   -0.1843768387E-09


 ***TOTAL****    0.2353427003E+01    0.2339965820E+01   -0.7822412554E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86042 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117729E+03   -0.1300289241E-03    0.0000000000E+00


              2   E=       -2.51061 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12513E+02   0.77637E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002161498E+02   -0.9323694221E-05    0.0000000000E+00


              3   E=       -2.27842 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81929E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79017E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495135726E-04   -0.4943095516E-11   -0.4582446252E-10


 ***TOTAL****    0.2352731512E+01    0.2339965820E+01   -0.7126020994E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73945 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468630E+04   -0.3695133926E-03    0.0000000000E+00


              2   E=       -1.60343 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90390E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452558166E+02   -0.1702752265E-04    0.0000000000E+00


              3   E=       -1.18082 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541171563E-03   -0.1698241765E-10   -0.1575096686E-09


 ***TOTAL****    0.2353431472E+01    0.2339965820E+01   -0.7868089812E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239357E+04   -0.3694425828E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294535999E+02   -0.1653404108E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452286017E-03   -0.1600297230E-10   -0.1484254414E-09


 ***TOTAL****    0.2353411184E+01    0.2339965820E+01   -0.7660744588E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28383 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664689E+04   -0.3695739431E-03    0.0000000000E+00


              2   E=       -2.07331 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20555E+01   0.74216E+01   0.41112E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953728528E+02   -0.1859260883E-04    0.0000000000E+00


              3   E=       -1.64163 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96237E+00   0.10000E+01   0.13644E+01   0.22878E+01   0.10127E+02   0.70521E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818812876E-03   -0.2004179597E-10   -0.1858850019E-09


 ***TOTAL****    0.2353426192E+01    0.2339965820E+01   -0.7814129114E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73195 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586986E+03   -0.1299201353E-03    0.0000000000E+00


              2   E=       -2.41745 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32704E+01   0.89094E+00   0.10000E+01   0.15877E+01   0.28903E+01   0.12977E+02   0.82181E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928903512E+02   -0.9096178084E-05    0.0000000000E+00


              3   E=       -2.18316 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87986E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12619E+02   0.85353E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302744542E-04   -0.4731531265E-11   -0.4386317709E-10


 ***TOTAL****    0.2352730999E+01    0.2339965820E+01   -0.7073723584E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18956 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534491E+04   -0.3695337323E-03    0.0000000000E+00


              2   E=       -1.99367 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76663E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864870130E+02   -0.1831511586E-04    0.0000000000E+00


              3   E=       -1.56323 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30457E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76606E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769899605E-03   -0.1950281179E-10   -0.1808859939E-09


 ***TOTAL****    0.2353419913E+01    0.2339965820E+01   -0.7749952667E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28119 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228695086E+03   -0.1302932074E-03    0.0000000000E+00


              2   E=       -2.80588 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93290E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64889E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250238499E+02   -0.1009414290E-04    0.0000000000E+00


              3   E=       -2.58285 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61873E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195265574E-04   -0.5712997958E-11   -0.5296176681E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170401692E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238218475E+03   -0.1305866407E-03    0.0000000000E+00


              2   E=       -2.99748 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95380E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416440110E+02   -0.1061031406E-04    0.0000000000E+00


              3   E=       -2.78192 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23321E+01   0.92215E+01   0.53309E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706117869E-04   -0.6274760560E-11   -0.5816953203E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744539758E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   8TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59731        0.59731        0.59731
    3    1  210        1.67272        1.67270        1.67270
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54958        4.64876        1.54959
    6    2  210        4.24262       12.72791        4.24264
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43804        2.62825        0.43804
    9    3  210        1.55507        9.33038        1.55506
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09605        1.69868
   12    4  210        4.99531       14.98593        4.99531
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25417        1.87569
   15    5  210        5.16134       30.96806        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54259        1.54259        1.54259
   18    6  210        4.20374        4.20376        4.20376
   19    7  100        2.00042        6.00127        2.00042
   20    7  200        0.57230        1.71687        0.57229
   21    7  210        1.61268        4.83800        1.61267
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61527        9.69165        1.61527
   24    8  210        4.28444       25.70669        4.28445
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43110        1.29330        0.43110
   27    9  210        0.97625        2.92874        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21040        1.26239        0.21040
   30   10  210        0.81564        4.89383        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.483780E-05 0.952962E-09 0.952850E-09 0.117835E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.764717E-05 0.523575E-09 0.523632E-09 0.107130E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663989E+02 0.663989E+02 0.440774E-05 0.515215E-09 0.515185E-09 0.569241E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195939E+03 0.195939E+03 0.154193E-04 0.648863E-09 0.648898E-09 0.537705E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.184045E+03 0.184045E+03 0.450083E-05 0.860620E-09 0.860628E-09 0.909477E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.734005E-05 0.461463E-09 0.461525E-09 0.132528E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.432687E-05 0.781333E-09 0.781258E-09 0.962062E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.665862E-05 0.697859E-09 0.697905E-09 0.671917E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666041E+02 0.666041E+02 0.279574E-05 0.626465E-09 0.626440E-09 0.393360E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.665263E+02 0.665263E+02 0.582391E-05 0.589955E-09 0.589945E-09 0.166901E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44394    -14.22197   -386.93806   2.00000
    2    2               -28.44311    -14.22156   -386.92671   2.00000
    3    3               -28.12279    -14.06140   -382.56927   2.00000
    4    4               -28.12277    -14.06138   -382.56888   2.00000
    5    5               -28.10844    -14.05422   -382.37406   2.00000
    6    6               -27.95985    -13.97993   -380.35267   2.00000
    7    7               -27.95942    -13.97971   -380.34680   2.00000
    8    8               -27.64837    -13.82419   -376.11543   2.00000
    9    9               -27.64832    -13.82416   -376.11472   2.00000
   10   10               -27.63432    -13.81716   -375.92428   2.00000
   11   11               -27.63413    -13.81707   -375.92176   2.00000
   12   12               -27.59538    -13.79769   -375.39455   2.00000
   13   13               -27.17356    -13.58678   -369.65639   2.00000
   14   14               -27.17326    -13.58663   -369.65232   2.00000
   15   15               -27.15585    -13.57792   -369.41537   2.00000
   16   16               -27.15038    -13.57519   -369.34101   2.00000
   17   17               -27.14981    -13.57490   -369.33322   2.00000
   18   18               -27.00379    -13.50190   -367.34687   2.00000
   19   19               -27.00354    -13.50177   -367.34352   2.00000
   20   20               -13.34811     -6.67405   -181.58135   2.00000
   21   21               -13.34771     -6.67386   -181.57598   2.00000
   22   22               -13.10311     -6.55155   -178.24851   2.00000
   23   23               -13.10286     -6.55143   -178.24514   2.00000
   24   24               -13.03176     -6.51588   -177.27792   2.00000
   25   25               -13.03160     -6.51580   -177.27571   2.00000
   26   26               -13.02076     -6.51038   -177.12826   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75550   2.00000
   29   29               -12.55226     -6.27613   -170.75505   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67225   2.00000
   32   32               -12.40086     -6.20043   -168.69551   2.00000
   33   33               -12.40069     -6.20035   -168.69319   2.00000
   34   34               -12.15379     -6.07690   -165.33448   2.00000
   35   35               -12.07392     -6.03696   -164.24797   2.00000
   36   36               -12.07349     -6.03674   -164.24204   2.00000
   37   37               -11.92148     -5.96074   -162.17422   2.00000
   38   38               -11.92134     -5.96067   -162.17227   2.00000
   39   39                -2.47836     -1.23918    -33.71439   2.00000
   40   40                -2.46134     -1.23067    -33.48288   2.00000
   41   41                -2.15916     -1.07958    -29.37221   2.00000
   42   42                -2.05425     -1.02713    -27.94510   2.00000
   43   43                -2.03966     -1.01983    -27.74658   2.00000
   44   44                -1.97909     -0.98955    -26.92267   2.00000
   45   45                -1.91596     -0.95798    -26.06380   2.00000
   46   46                -1.74436     -0.87218    -23.72952   2.00000
   47   47                -1.73788     -0.86894    -23.64133   2.00000
   48   48                -1.60487     -0.80244    -21.83194   2.00000
   49   49                -1.59419     -0.79710    -21.68663   2.00000
   50   50                -1.55925     -0.77963    -21.21135   2.00000
   51   51                -1.50839     -0.75420    -20.51945   2.00000
   52   52                -1.46644     -0.73322    -19.94875   2.00000
   53   53                -1.44133     -0.72067    -19.60721   2.00000
   54   54                -1.43525     -0.71762    -19.52442   2.00000
   55   55                -1.29397     -0.64699    -17.60259   2.00000
   56   56                -1.28370     -0.64185    -17.46289   2.00000
   57   57                -1.27527     -0.63764    -17.34820   2.00000
   58   58                -1.27199     -0.63600    -17.30361   2.00000
   59   59                -1.23339     -0.61670    -16.77852   2.00000
   60   60                -1.22783     -0.61392    -16.70288   2.00000
   61   61                -1.22150     -0.61075    -16.61677   2.00000
   62   62                -1.20633     -0.60317    -16.41040   2.00000
   63   63                -1.16790     -0.58395    -15.88749   2.00000
   64   64                -1.14458     -0.57229    -15.57036   2.00000
   65   65                -1.13822     -0.56911    -15.48376   2.00000
   66   66                -1.08801     -0.54400    -14.80074   2.00000
   67   67                -1.07650     -0.53825    -14.64425   2.00000
   68   68                -1.05958     -0.52979    -14.41401   2.00000
   69   69                -1.01722     -0.50861    -13.83783   2.00000
   70   70                -1.01089     -0.50545    -13.75173   2.00000
   71   71                -0.99278     -0.49639    -13.50536   2.00000
   72   72                -0.98573     -0.49286    -13.40940   2.00000
   73   73                -0.98364     -0.49182    -13.38101   2.00000
   74   74                -0.97561     -0.48780    -13.27172   2.00000
   75   75                -0.91255     -0.45628    -12.41395   2.00000
   76   76                -0.85516     -0.42758    -11.63316   2.00000
   77   77                -0.81622     -0.40811    -11.10347   2.00000
   78   78                -0.80026     -0.40013    -10.88640   2.00000
   79   79                -0.78861     -0.39430    -10.72785   2.00000
   80   80                -0.78647     -0.39324    -10.69881   2.00000
   81   81                -0.78309     -0.39154    -10.65277   2.00000
   82   82                -0.75876     -0.37938    -10.32184   2.00000
   83   83                -0.75275     -0.37637    -10.24003   2.00000
   84   84                -0.72468     -0.36234     -9.85814   2.00000
   85   85                -0.71774     -0.35887     -9.76375   2.00000
   86   86                -0.69712     -0.34856     -9.48328   2.00000
   87   87                -0.61296     -0.30648     -8.33845   2.00000
   88   88                -0.57854     -0.28927     -7.87014   2.00000
   89   89                -0.56285     -0.28142     -7.65669   2.00000
   90   90                -0.53160     -0.26580     -7.23160   2.00000
   91   91                -0.52730     -0.26365     -7.17314   2.00000
   92   92                -0.48975     -0.24488     -6.66234   2.00000
   93   93                -0.48095     -0.24048     -6.54264   2.00000
   94   94                -0.45800     -0.22900     -6.23040   2.00000
   95   95                -0.45436     -0.22718     -6.18094   2.00000
   96   96                -0.40552     -0.20276     -5.51650   2.00000
   97   97                -0.36031     -0.18015     -4.90147   2.00000
   98   98                -0.35066     -0.17533     -4.77015   2.00000
   99   99                -0.33483     -0.16741     -4.55484   2.00000
  100  100                -0.25480     -0.12740     -3.46616   2.00000
  101  101                -0.24430     -0.12215     -3.32337   2.00000
  102  102                -0.23639     -0.11820     -3.21577   2.00000
  103  103                -0.17923     -0.08961     -2.43815   2.00000
  104  104                -0.16628     -0.08314     -2.26204   2.00000
  105  105                -0.14101     -0.07051     -1.91826   2.00000
  106  106                -0.13141     -0.06571     -1.78767   2.00000
  107  107                -0.12623     -0.06311     -1.71716   2.00000
  108  108                -0.10166     -0.05083     -1.38295   2.00000
  109  109                -0.09085     -0.04543     -1.23588   2.00000
  110  110                -0.07155     -0.03577     -0.97333   2.00000
  111  111                -0.04976     -0.02488     -0.67691   2.00000
  112  112                -0.04186     -0.02093     -0.56939   2.00000
  113  113                -0.03336     -0.01668     -0.45375   2.00000
  114  114                -0.02861     -0.01430     -0.38913   2.00000
  115  115                -0.01379     -0.00689     -0.18755   0.00000
  116  116                 0.00094      0.00047      0.01277   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30119   0.00000
  119  119                 0.02504      0.01252      0.34059   0.00000
  120  120                 0.14777      0.07389      2.01022   0.00000
  121  121                 0.14941      0.07470      2.03246   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65522   0.00000
  124  124                 0.23481      0.11741      3.19428   0.00000
  125  125                 0.31686      0.15843      4.31043   0.00000
  126  126                 0.34704      0.17352      4.72100   0.00000
  127  127                 0.35286      0.17643      4.80021   0.00000
  128  128                 0.39935      0.19968      5.43261   0.00000
  129  129                 0.43157      0.21579      5.87092   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56892   0.00000
  133  133                 0.54707      0.27353      7.44203   0.00000
  134  134                 0.56220      0.28110      7.64793   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72734   0.00000
  137  137                 0.57668      0.28834      7.84491   0.00000
  138  138                 0.63435      0.31717      8.62937   0.00000
  139  139                 0.66860      0.33430      9.09534   0.00000
  140  140                 0.69079      0.34540      9.39720   0.00000
  141  141                 0.71736      0.35868      9.75862   0.00000
  142  142                 0.74081      0.37040     10.07762   0.00000
  143  143                 0.79577      0.39788     10.82525   0.00000
  144  144                 0.82923      0.41461     11.28041   0.00000
  145  145                 0.84956      0.42478     11.55702   0.00000
  146  146                 0.85277      0.42639     11.60071   0.00000
  147  147                 0.85920      0.42960     11.68822   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91427      0.45714     12.43735   0.00000
  151  151                 0.92996      0.46498     12.65077   0.00000
  152  152                 0.93885      0.46942     12.77164   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42623   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50058   0.00000
  158  158                 1.06979      0.53490     14.55294   0.00000
  159  159                 1.14735      0.57367     15.60795   0.00000
  160  160                 1.15445      0.57723     15.70460   0.00000
  161  161                 1.16355      0.58177     15.82835   0.00000
  162  162                 1.18389      0.59194     16.10505   0.00000
  163  163                 1.20926      0.60463     16.45021   0.00000
  164  164                 1.22993      0.61497     16.73145   0.00000
  165  165                 1.27089      0.63544     17.28856   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10502   0.00000
  168  168                 1.34813      0.67406     18.33932   0.00000
  169  169                 1.34890      0.67445     18.34986   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77335   0.00000
  172  172                 1.39899      0.69950     19.03121   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73277     19.93665   0.00000
  175  175                 1.47148      0.73574     20.01731   0.00000
  176  176                 1.50334      0.75167     20.45071   0.00000
  177  177                 1.55957      0.77979     21.21571   0.00000
  178  178                 1.58183      0.79092     21.51852   0.00000
  179  179                 1.60524      0.80262     21.83688   0.00000
  180  180                 1.61742      0.80871     22.00264   0.00000
  181  181                 1.67032      0.83516     22.72231   0.00000
  182  182                 1.68157      0.84079     22.87534   0.00000
  183  183                 1.72883      0.86441     23.51815   0.00000
  184  184                 1.78052      0.89026     24.22135   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11390   0.00000
  188  188                 1.99683      0.99841     27.16391   0.00000
  189  189                 2.07263      1.03632     28.19513   0.00000
  190  190                 2.09322      1.04661     28.47513   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    2    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.37122E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67436 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249202E+03   -0.1298789157E-03    0.0000000000E+00


              2   E=       -2.37579 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84380E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895765589E+02   -0.8993262262E-05    0.0000000000E+00


              3   E=       -2.14059 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86994E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27651E+01   0.12921E+02   0.88470E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216391839E-04   -0.4636572965E-11   -0.4298287561E-10


 ***TOTAL****    0.2352732138E+01    0.2339965820E+01   -0.7189790999E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25577 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654910E+04   -0.3695709231E-03    0.0000000000E+00


              2   E=       -2.04952 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74935E+01   0.41759E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926952421E+02   -0.1850899068E-04    0.0000000000E+00


              3   E=       -1.61819 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72270E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804055290E-03   -0.1987917950E-10   -0.1843767554E-09


 ***TOTAL****    0.2353427003E+01    0.2339965820E+01   -0.7822418210E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86042 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117744E+03   -0.1300289246E-03    0.0000000000E+00


              2   E=       -2.51061 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12513E+02   0.77637E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002162663E+02   -0.9323697839E-05    0.0000000000E+00


              3   E=       -2.27842 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81929E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79017E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495138443E-04   -0.4943098504E-11   -0.4582449022E-10


 ***TOTAL****    0.2352731512E+01    0.2339965820E+01   -0.7126014770E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73945 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468663E+04   -0.3695134028E-03    0.0000000000E+00


              2   E=       -1.60343 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90390E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452557785E+02   -0.1702752146E-04    0.0000000000E+00


              3   E=       -1.18081 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541171341E-03   -0.1698241519E-10   -0.1575096458E-09


 ***TOTAL****    0.2353431472E+01    0.2339965820E+01   -0.7868091946E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239401E+04   -0.3694425963E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294539736E+02   -0.1653405275E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452287920E-03   -0.1600299326E-10   -0.1484256358E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660754942E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28383 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664692E+04   -0.3695739441E-03    0.0000000000E+00


              2   E=       -2.07330 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20555E+01   0.74216E+01   0.41112E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953726525E+02   -0.1859260257E-04    0.0000000000E+00


              3   E=       -1.64163 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96237E+00   0.10000E+01   0.13644E+01   0.22878E+01   0.10127E+02   0.70522E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818811826E-03   -0.2004178439E-10   -0.1858848945E-09


 ***TOTAL****    0.2353426193E+01    0.2339965820E+01   -0.7814136017E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73195 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216586997E+03   -0.1299201356E-03    0.0000000000E+00


              2   E=       -2.41746 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32704E+01   0.89094E+00   0.10000E+01   0.15877E+01   0.28903E+01   0.12977E+02   0.82181E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928905390E+02   -0.9096183917E-05    0.0000000000E+00


              3   E=       -2.18316 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87986E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12619E+02   0.85353E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302748762E-04   -0.4731535906E-11   -0.4386322011E-10


 ***TOTAL****    0.2352730999E+01    0.2339965820E+01   -0.7073712399E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18956 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534492E+04   -0.3695337327E-03    0.0000000000E+00


              2   E=       -1.99367 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76663E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864869163E+02   -0.1831511284E-04    0.0000000000E+00


              3   E=       -1.56323 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30457E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13812E+01   0.23466E+01   0.10680E+02   0.76606E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769899089E-03   -0.1950280610E-10   -0.1808859411E-09


 ***TOTAL****    0.2353419913E+01    0.2339965820E+01   -0.7749956113E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28120 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228695104E+03   -0.1302932080E-03    0.0000000000E+00


              2   E=       -2.80588 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93290E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64889E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250239431E+02   -0.1009414580E-04    0.0000000000E+00


              3   E=       -2.58285 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61873E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195268005E-04   -0.5713000631E-11   -0.5296179159E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170397008E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238218368E+03   -0.1305866375E-03    0.0000000000E+00


              2   E=       -2.99748 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95380E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58224E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416440539E+02   -0.1061031540E-04    0.0000000000E+00


              3   E=       -2.78192 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23321E+01   0.92215E+01   0.53309E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706119044E-04   -0.6274761852E-11   -0.5816954400E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744538133E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR   9TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59731        0.59731        0.59731
    3    1  210        1.67271        1.67270        1.67270
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54958        4.64876        1.54959
    6    2  210        4.24263       12.72791        4.24264
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43804        2.62824        0.43804
    9    3  210        1.55507        9.33038        1.55506
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09605        1.69868
   12    4  210        4.99531       14.98594        4.99531
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25417        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54259        1.54260        1.54260
   18    6  210        4.20375        4.20376        4.20376
   19    7  100        2.00042        6.00127        2.00042
   20    7  200        0.57229        1.71687        0.57229
   21    7  210        1.61268        4.83800        1.61267
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61527        9.69165        1.61528
   24    8  210        4.28444       25.70670        4.28445
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43110        1.29330        0.43110
   27    9  210        0.97625        2.92874        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21040        1.26239        0.21040
   30   10  210        0.81564        4.89383        0.81564



     M,D,TOLM =   31   0.877587-305   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.354803E-05 0.952921E-09 0.952837E-09 0.873739E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.511963E-05 0.523596E-09 0.523638E-09 0.795508E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663989E+02 0.663989E+02 0.237420E-05 0.515204E-09 0.515182E-09 0.419199E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195939E+03 0.195939E+03 0.428593E-05 0.648876E-09 0.648901E-09 0.395343E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.195296E+03 0.195296E+03 0.149022E-04 0.860623E-09 0.860626E-09 0.389735E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.506474E-05 0.461486E-09 0.461532E-09 0.987150E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.308274E-05 0.781305E-09 0.781250E-09 0.712646E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195963E+03 0.195963E+03 0.430184E-05 0.697876E-09 0.697911E-09 0.498807E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666041E+02 0.666041E+02 0.193893E-05 0.626456E-09 0.626438E-09 0.289976E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.665263E+02 0.665263E+02 0.168536E-05 0.589951E-09 0.589944E-09 0.122294E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44395    -14.22197   -386.93808   2.00000
    2    2               -28.44311    -14.22156   -386.92673   2.00000
    3    3               -28.12279    -14.06140   -382.56928   2.00000
    4    4               -28.12277    -14.06138   -382.56889   2.00000
    5    5               -28.10844    -14.05422   -382.37407   2.00000
    6    6               -27.95985    -13.97993   -380.35269   2.00000
    7    7               -27.95942    -13.97971   -380.34682   2.00000
    8    8               -27.64837    -13.82419   -376.11544   2.00000
    9    9               -27.64832    -13.82416   -376.11473   2.00000
   10   10               -27.63432    -13.81716   -375.92429   2.00000
   11   11               -27.63413    -13.81707   -375.92178   2.00000
   12   12               -27.59538    -13.79769   -375.39456   2.00000
   13   13               -27.17356    -13.58678   -369.65640   2.00000
   14   14               -27.17327    -13.58663   -369.65233   2.00000
   15   15               -27.15585    -13.57792   -369.41538   2.00000
   16   16               -27.15038    -13.57519   -369.34102   2.00000
   17   17               -27.14981    -13.57490   -369.33323   2.00000
   18   18               -27.00379    -13.50190   -367.34689   2.00000
   19   19               -27.00355    -13.50177   -367.34354   2.00000
   20   20               -13.34811     -6.67405   -181.58135   2.00000
   21   21               -13.34771     -6.67386   -181.57598   2.00000
   22   22               -13.10311     -6.55155   -178.24852   2.00000
   23   23               -13.10286     -6.55143   -178.24514   2.00000
   24   24               -13.03176     -6.51588   -177.27792   2.00000
   25   25               -13.03160     -6.51580   -177.27572   2.00000
   26   26               -13.02076     -6.51038   -177.12826   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75550   2.00000
   29   29               -12.55226     -6.27613   -170.75505   2.00000
   30   30               -12.54656     -6.27328   -170.67754   2.00000
   31   31               -12.54617     -6.27309   -170.67225   2.00000
   32   32               -12.40086     -6.20043   -168.69551   2.00000
   33   33               -12.40069     -6.20035   -168.69319   2.00000
   34   34               -12.15379     -6.07690   -165.33448   2.00000
   35   35               -12.07392     -6.03696   -164.24798   2.00000
   36   36               -12.07349     -6.03674   -164.24205   2.00000
   37   37               -11.92148     -5.96074   -162.17422   2.00000
   38   38               -11.92134     -5.96067   -162.17227   2.00000
   39   39                -2.47836     -1.23918    -33.71439   2.00000
   40   40                -2.46134     -1.23067    -33.48289   2.00000
   41   41                -2.15916     -1.07958    -29.37221   2.00000
   42   42                -2.05425     -1.02713    -27.94510   2.00000
   43   43                -2.03966     -1.01983    -27.74658   2.00000
   44   44                -1.97909     -0.98955    -26.92267   2.00000
   45   45                -1.91596     -0.95798    -26.06380   2.00000
   46   46                -1.74437     -0.87218    -23.72952   2.00000
   47   47                -1.73788     -0.86894    -23.64134   2.00000
   48   48                -1.60487     -0.80244    -21.83194   2.00000
   49   49                -1.59419     -0.79710    -21.68663   2.00000
   50   50                -1.55925     -0.77963    -21.21135   2.00000
   51   51                -1.50839     -0.75420    -20.51946   2.00000
   52   52                -1.46644     -0.73322    -19.94876   2.00000
   53   53                -1.44133     -0.72067    -19.60721   2.00000
   54   54                -1.43525     -0.71762    -19.52442   2.00000
   55   55                -1.29397     -0.64699    -17.60260   2.00000
   56   56                -1.28370     -0.64185    -17.46290   2.00000
   57   57                -1.27527     -0.63764    -17.34821   2.00000
   58   58                -1.27199     -0.63600    -17.30361   2.00000
   59   59                -1.23339     -0.61670    -16.77852   2.00000
   60   60                -1.22783     -0.61392    -16.70288   2.00000
   61   61                -1.22150     -0.61075    -16.61677   2.00000
   62   62                -1.20633     -0.60317    -16.41040   2.00000
   63   63                -1.16790     -0.58395    -15.88750   2.00000
   64   64                -1.14458     -0.57229    -15.57036   2.00000
   65   65                -1.13822     -0.56911    -15.48377   2.00000
   66   66                -1.08801     -0.54400    -14.80074   2.00000
   67   67                -1.07650     -0.53825    -14.64425   2.00000
   68   68                -1.05958     -0.52979    -14.41401   2.00000
   69   69                -1.01722     -0.50861    -13.83783   2.00000
   70   70                -1.01089     -0.50545    -13.75174   2.00000
   71   71                -0.99278     -0.49639    -13.50537   2.00000
   72   72                -0.98573     -0.49286    -13.40940   2.00000
   73   73                -0.98364     -0.49182    -13.38102   2.00000
   74   74                -0.97561     -0.48780    -13.27172   2.00000
   75   75                -0.91255     -0.45628    -12.41395   2.00000
   76   76                -0.85516     -0.42758    -11.63317   2.00000
   77   77                -0.81622     -0.40811    -11.10347   2.00000
   78   78                -0.80026     -0.40013    -10.88640   2.00000
   79   79                -0.78861     -0.39430    -10.72785   2.00000
   80   80                -0.78647     -0.39324    -10.69882   2.00000
   81   81                -0.78309     -0.39154    -10.65278   2.00000
   82   82                -0.75876     -0.37938    -10.32185   2.00000
   83   83                -0.75275     -0.37637    -10.24003   2.00000
   84   84                -0.72468     -0.36234     -9.85814   2.00000
   85   85                -0.71774     -0.35887     -9.76376   2.00000
   86   86                -0.69712     -0.34856     -9.48329   2.00000
   87   87                -0.61296     -0.30648     -8.33845   2.00000
   88   88                -0.57854     -0.28927     -7.87014   2.00000
   89   89                -0.56285     -0.28142     -7.65669   2.00000
   90   90                -0.53160     -0.26580     -7.23160   2.00000
   91   91                -0.52730     -0.26365     -7.17315   2.00000
   92   92                -0.48975     -0.24488     -6.66234   2.00000
   93   93                -0.48095     -0.24048     -6.54265   2.00000
   94   94                -0.45800     -0.22900     -6.23040   2.00000
   95   95                -0.45436     -0.22718     -6.18095   2.00000
   96   96                -0.40552     -0.20276     -5.51650   2.00000
   97   97                -0.36031     -0.18015     -4.90147   2.00000
   98   98                -0.35066     -0.17533     -4.77016   2.00000
   99   99                -0.33483     -0.16741     -4.55484   2.00000
  100  100                -0.25480     -0.12740     -3.46617   2.00000
  101  101                -0.24430     -0.12215     -3.32337   2.00000
  102  102                -0.23639     -0.11820     -3.21577   2.00000
  103  103                -0.17923     -0.08962     -2.43816   2.00000
  104  104                -0.16628     -0.08314     -2.26205   2.00000
  105  105                -0.14101     -0.07051     -1.91826   2.00000
  106  106                -0.13141     -0.06571     -1.78768   2.00000
  107  107                -0.12623     -0.06311     -1.71716   2.00000
  108  108                -0.10166     -0.05083     -1.38296   2.00000
  109  109                -0.09085     -0.04543     -1.23589   2.00000
  110  110                -0.07155     -0.03578     -0.97334   2.00000
  111  111                -0.04976     -0.02488     -0.67691   2.00000
  112  112                -0.04186     -0.02093     -0.56939   2.00000
  113  113                -0.03336     -0.01668     -0.45375   2.00000
  114  114                -0.02861     -0.01430     -0.38915   2.00000
  115  115                -0.01379     -0.00689     -0.18755   0.00000
  116  116                 0.00094      0.00047      0.01277   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30118   0.00000
  119  119                 0.02504      0.01252      0.34059   0.00000
  120  120                 0.14777      0.07389      2.01022   0.00000
  121  121                 0.14941      0.07470      2.03245   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65521   0.00000
  124  124                 0.23481      0.11741      3.19428   0.00000
  125  125                 0.31686      0.15843      4.31043   0.00000
  126  126                 0.34704      0.17352      4.72099   0.00000
  127  127                 0.35286      0.17643      4.80021   0.00000
  128  128                 0.39935      0.19968      5.43261   0.00000
  129  129                 0.43157      0.21579      5.87092   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56891   0.00000
  133  133                 0.54707      0.27353      7.44203   0.00000
  134  134                 0.56220      0.28110      7.64792   0.00000
  135  135                 0.56658      0.28329      7.70754   0.00000
  136  136                 0.56804      0.28402      7.72734   0.00000
  137  137                 0.57668      0.28834      7.84491   0.00000
  138  138                 0.63435      0.31717      8.62937   0.00000
  139  139                 0.66860      0.33430      9.09533   0.00000
  140  140                 0.69079      0.34540      9.39720   0.00000
  141  141                 0.71736      0.35868      9.75862   0.00000
  142  142                 0.74081      0.37040     10.07762   0.00000
  143  143                 0.79577      0.39788     10.82525   0.00000
  144  144                 0.82923      0.41461     11.28040   0.00000
  145  145                 0.84956      0.42478     11.55702   0.00000
  146  146                 0.85277      0.42639     11.60071   0.00000
  147  147                 0.85920      0.42960     11.68822   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91427      0.45714     12.43735   0.00000
  151  151                 0.92996      0.46498     12.65076   0.00000
  152  152                 0.93885      0.46942     12.77164   0.00000
  153  153                 0.95623      0.47812     13.00816   0.00000
  154  154                 0.98697      0.49348     13.42623   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50058   0.00000
  158  158                 1.06979      0.53490     14.55293   0.00000
  159  159                 1.14735      0.57367     15.60795   0.00000
  160  160                 1.15445      0.57723     15.70460   0.00000
  161  161                 1.16355      0.58177     15.82834   0.00000
  162  162                 1.18389      0.59194     16.10505   0.00000
  163  163                 1.20926      0.60463     16.45021   0.00000
  164  164                 1.22993      0.61497     16.73145   0.00000
  165  165                 1.27089      0.63544     17.28856   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10502   0.00000
  168  168                 1.34813      0.67406     18.33932   0.00000
  169  169                 1.34890      0.67445     18.34986   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38004      0.69002     18.77335   0.00000
  172  172                 1.39899      0.69950     19.03120   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73277     19.93665   0.00000
  175  175                 1.47148      0.73574     20.01731   0.00000
  176  176                 1.50334      0.75167     20.45071   0.00000
  177  177                 1.55957      0.77979     21.21571   0.00000
  178  178                 1.58183      0.79092     21.51851   0.00000
  179  179                 1.60524      0.80262     21.83688   0.00000
  180  180                 1.61742      0.80871     22.00264   0.00000
  181  181                 1.67032      0.83516     22.72230   0.00000
  182  182                 1.68157      0.84079     22.87533   0.00000
  183  183                 1.72883      0.86441     23.51815   0.00000
  184  184                 1.78052      0.89026     24.22135   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11390   0.00000
  188  188                 1.99683      0.99841     27.16391   0.00000
  189  189                 2.07263      1.03632     28.19513   0.00000
  190  190                 2.09322      1.04661     28.47513   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    1    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.37864E+00 0.10000E-06 0.10000E-06 0.10000E-08
JPRT,IWRE,NDWAV,NDVR=    0    0    0    0
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.67437 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43824E+02   0.46210E+01   0.10000E+01   0.33202E+00   0.14990E+00   0.60141E-01   0.47397E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4215249211E+03   -0.1298789159E-03    0.0000000000E+00


              2   E=       -2.37579 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32367E+01   0.88650E+00   0.10000E+01   0.15941E+01   0.29139E+01   0.13198E+02   0.84380E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2895767337E+02   -0.8993267691E-05    0.0000000000E+00


              3   E=       -2.14059 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14741E+01   0.86994E+00   0.80433E+00   0.10000E+01   0.15351E+01   0.27651E+01   0.12921E+02   0.88470E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216395726E-04   -0.4636577239E-11   -0.4298291523E-10


 ***TOTAL****    0.2352732138E+01    0.2339965820E+01   -0.7189780566E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.25577 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72353E-01   0.13802E-01   0.51263E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196654912E+04   -0.3695709237E-03    0.0000000000E+00


              2   E=       -2.04952 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48627E+01   0.10799E+01   0.10000E+01   0.13201E+01   0.20644E+01   0.74935E+01   0.41759E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5926951317E+02   -0.1850898724E-04    0.0000000000E+00


              3   E=       -1.61819 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30975E+01   0.13311E+01   0.95931E+00   0.10000E+01   0.13694E+01   0.23051E+01   0.10288E+02   0.72270E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1804054712E-03   -0.1987917313E-10   -0.1843766963E-09


 ***TOTAL****    0.2353427004E+01    0.2339965820E+01   -0.7822422560E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.86042 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43867E+02   0.46239E+01   0.10000E+01   0.33172E+00   0.14958E+00   0.59796E-01   0.46879E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4220117747E+03   -0.1300289247E-03    0.0000000000E+00


              2   E=       -2.51061 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.33445E+01   0.90064E+00   0.10000E+01   0.15739E+01   0.28401E+01   0.12513E+02   0.77637E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3002163449E+02   -0.9323700279E-05    0.0000000000E+00


              3   E=       -2.27843 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.15502E+01   0.90162E+00   0.81929E+00   0.10000E+01   0.15068E+01   0.26643E+01   0.11994E+02   0.79017E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4495140219E-04   -0.4943100457E-11   -0.4582450832E-10


 ***TOTAL****    0.2352731512E+01    0.2339965820E+01   -0.7126010132E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.73945 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88779E+02   0.65981E+01   0.10000E+01   0.23125E+00   0.72382E-01   0.13819E-01   0.51402E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196468676E+04   -0.3695134069E-03    0.0000000000E+00


              2   E=       -1.60343 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.45024E+01   0.10383E+01   0.10000E+01   0.13728E+01   0.22445E+01   0.90390E+01   0.56799E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5452557434E+02   -0.1702752036E-04    0.0000000000E+00


              3   E=       -1.18081 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.26932E+01   0.11918E+01   0.90084E+00   0.10000E+01   0.14726E+01   0.26806E+01   0.14150E+02   0.11936E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1541171134E-03   -0.1698241291E-10   -0.1575096247E-09


 ***TOTAL****    0.2353431472E+01    0.2339965820E+01   -0.7868093427E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -14.55767 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88766E+02   0.65976E+01   0.10000E+01   0.23127E+00   0.72396E-01   0.13825E-01   0.51447E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196239312E+04   -0.3694425690E-03    0.0000000000E+00


              2   E=       -1.44291 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43817E+01   0.10238E+01   0.10000E+01   0.13929E+01   0.23160E+01   0.97111E+01   0.64027E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5294537819E+02   -0.1653404676E-04    0.0000000000E+00


              3   E=       -1.02464 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.25533E+01   0.11421E+01   0.87905E+00   0.10000E+01   0.15156E+01   0.28473E+01   0.16111E+02   0.14697E+03


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1452286912E-03   -0.1600298216E-10   -0.1484255328E-09


 ***TOTAL****    0.2353411185E+01    0.2339965820E+01   -0.7660749794E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.28383 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88792E+02   0.65987E+01   0.10000E+01   0.23121E+00   0.72351E-01   0.13801E-01   0.51254E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196664694E+04   -0.3695739448E-03    0.0000000000E+00


              2   E=       -2.07330 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48829E+01   0.10822E+01   0.10000E+01   0.13174E+01   0.20555E+01   0.74216E+01   0.41112E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5953725034E+02   -0.1859259792E-04    0.0000000000E+00


              3   E=       -1.64163 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.31198E+01   0.13386E+01   0.96237E+00   0.10000E+01   0.13644E+01   0.22878E+01   0.10127E+02   0.70522E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1818811046E-03   -0.2004177580E-10   -0.1858848148E-09


 ***TOTAL****    0.2353426193E+01    0.2339965820E+01   -0.7814141292E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -8.73195 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43836E+02   0.46219E+01   0.10000E+01   0.33193E+00   0.14980E+00   0.60036E-01   0.47237E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4216587007E+03   -0.1299201359E-03    0.0000000000E+00


              2   E=       -2.41746 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.32704E+01   0.89094E+00   0.10000E+01   0.15877E+01   0.28903E+01   0.12977E+02   0.82181E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.2928906841E+02   -0.9096188425E-05    0.0000000000E+00


              3   E=       -2.18316 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.14978E+01   0.87986E+00   0.80904E+00   0.10000E+01   0.15261E+01   0.27328E+01   0.12619E+02   0.85353E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4302752042E-04   -0.4731539513E-11   -0.4386325355E-10


 ***TOTAL****    0.2352730999E+01    0.2339965820E+01   -0.7073703755E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  N H FOR NON- SPIN



              1   E=      -15.18956 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.88784E+02   0.65984E+01   0.10000E+01   0.23122E+00   0.72362E-01   0.13806E-01   0.51294E-02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1196534415E+04   -0.3695337088E-03    0.0000000000E+00


              2   E=       -1.99367 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.48157E+01   0.10746E+01   0.10000E+01   0.13265E+01   0.20857E+01   0.76663E+01   0.43335E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5864868572E+02   -0.1831511100E-04    0.0000000000E+00


              3   E=       -1.56323 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.30457E+01   0.13136E+01   0.95214E+00   0.10000E+01   0.13813E+01   0.23466E+01   0.10680E+02   0.76606E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.1769898779E-03   -0.1950280269E-10   -0.1808859095E-09


 ***TOTAL****    0.2353419913E+01    0.2339965820E+01   -0.7749958879E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.28120 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.43948E+02   0.46296E+01   0.10000E+01   0.33104E+00   0.14882E+00   0.58961E-01   0.45625E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4228695118E+03   -0.1302932084E-03    0.0000000000E+00


              2   E=       -2.80588 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.35949E+01   0.93290E+00   0.10000E+01   0.15301E+01   0.26846E+01   0.11147E+02   0.64889E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3250240143E+02   -0.1009414801E-04    0.0000000000E+00


              3   E=       -2.58286 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.17358E+01   0.97684E+00   0.85369E+00   0.10000E+01   0.14459E+01   0.24544E+01   0.10193E+02   0.61873E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5195269868E-04   -0.5713002680E-11   -0.5296181059E-10


 ***TOTAL****    0.2352712329E+01    0.2339965820E+01   -0.5170393346E-10
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  B H FOR NON- SPIN



              1   E=       -9.56585 HR      (  100)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.44033E+02   0.46352E+01   0.10000E+01   0.33044E+00   0.14818E+00   0.58280E-01   0.44642E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4238218304E+03   -0.1305866355E-03    0.0000000000E+00


              2   E=       -2.99748 HR      (  200)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.00000E+00   0.37611E+01   0.95380E+00   0.10000E+01   0.15035E+01   0.25929E+01   0.10387E+02   0.58223E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.3416442807E+02   -0.1061032244E-04    0.0000000000E+00


              3   E=       -2.78192 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.18663E+01   0.10280E+01   0.87623E+00   0.10000E+01   0.14090E+01   0.23321E+01   0.92215E+01   0.53309E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.5706125273E-04   -0.6274768702E-11   -0.5816960750E-10


 ***TOTAL****    0.2352708151E+01    0.2339965820E+01   -0.4744541321E-10
1

          AT THE BEGINING OF FOCKM




          AT THE END OF FOCKM








     *** H AND S MATRIX AND COEFF. FOR     
1


      TOTAL POPULATION FOR  10TH ITERATION
    M   LO KIDO       SHOKICHI         SHUCHI
    1    1  100        2.00075        2.00075        2.00075
    2    1  200        0.59731        0.59730        0.59730
    3    1  210        1.67271        1.67270        1.67270
    4    2  100        2.00003        6.00008        2.00003
    5    2  200        1.54958        4.64876        1.54959
    6    2  210        4.24263       12.72791        4.24264
    7    3  100        2.00071       12.00429        2.00071
    8    3  200        0.43804        2.62824        0.43804
    9    3  210        1.55507        9.33037        1.55506
   10    4  100        1.99982        5.99947        1.99982
   11    4  200        1.69868        5.09605        1.69868
   12    4  210        4.99531       14.98594        4.99531
   13    5  100        1.99993       11.99959        1.99993
   14    5  200        1.87569       11.25417        1.87569
   15    5  210        5.16134       30.96805        5.16134
   16    6  100        2.00009        2.00009        2.00009
   17    6  200        1.54259        1.54260        1.54260
   18    6  210        4.20375        4.20376        4.20376
   19    7  100        2.00042        6.00127        2.00042
   20    7  200        0.57229        1.71687        0.57229
   21    7  210        1.61267        4.83800        1.61267
   22    8  100        2.00005       12.00031        2.00005
   23    8  200        1.61527        9.69165        1.61528
   24    8  210        4.28445       25.70671        4.28445
   25    9  100        2.00085        6.00256        2.00085
   26    9  200        0.43110        1.29330        0.43110
   27    9  210        0.97625        2.92874        0.97625
   28   10  100        2.00071       12.00424        2.00071
   29   10  200        0.21040        1.26239        0.21040
   30   10  210        0.81564        4.89383        0.81564
     TOLM =   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.666515E+02 0.666515E+02 0.240746E-05 0.952889E-09 0.952828E-09 0.643057E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.195374E+03 0.195374E+03 0.370588E-05 0.523612E-09 0.523643E-09 0.584836E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.663989E+02 0.663989E+02 0.195408E-05 0.515196E-09 0.515180E-09 0.305331E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.195388E+03 0.195388E+03 0.236742E-05 0.648885E-09 0.648904E-09 0.290309E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.195901E+03 0.195901E+03 0.101110E-04 0.860624E-09 0.860629E-09 0.619593E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.183012E+03 0.183012E+03 0.353989E-05 0.461503E-09 0.461537E-09 0.729540E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.667836E+02 0.667836E+02 0.212228E-05 0.781284E-09 0.781243E-09 0.522984E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.195590E+03 0.195590E+03 0.118697E-04 0.697889E-09 0.697915E-09 0.365343E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.666041E+02 0.666041E+02 0.137205E-05 0.626449E-09 0.626436E-09 0.211004E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.676855E+02 0.676855E+02 0.117943E-05 0.589948E-09 0.589942E-09 0.102690E-04



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -28.44395    -14.22197   -386.93806   2.00000
    2    2               -28.44311    -14.22156   -386.92671   2.00000
    3    3               -28.12280    -14.06140   -382.56929   2.00000
    4    4               -28.12277    -14.06138   -382.56890   2.00000
    5    5               -28.10845    -14.05422   -382.37408   2.00000
    6    6               -27.95985    -13.97993   -380.35268   2.00000
    7    7               -27.95942    -13.97971   -380.34681   2.00000
    8    8               -27.64837    -13.82419   -376.11545   2.00000
    9    9               -27.64832    -13.82416   -376.11474   2.00000
   10   10               -27.63432    -13.81716   -375.92430   2.00000
   11   11               -27.63413    -13.81707   -375.92178   2.00000
   12   12               -27.59538    -13.79769   -375.39458   2.00000
   13   13               -27.17356    -13.58678   -369.65641   2.00000
   14   14               -27.17327    -13.58663   -369.65234   2.00000
   15   15               -27.15585    -13.57792   -369.41539   2.00000
   16   16               -27.15038    -13.57519   -369.34103   2.00000
   17   17               -27.14981    -13.57490   -369.33324   2.00000
   18   18               -27.00379    -13.50190   -367.34687   2.00000
   19   19               -27.00354    -13.50177   -367.34352   2.00000
   20   20               -13.34811     -6.67405   -181.58136   2.00000
   21   21               -13.34771     -6.67386   -181.57599   2.00000
   22   22               -13.10311     -6.55155   -178.24852   2.00000
   23   23               -13.10286     -6.55143   -178.24515   2.00000
   24   24               -13.03176     -6.51588   -177.27792   2.00000
   25   25               -13.03160     -6.51580   -177.27572   2.00000
   26   26               -13.02076     -6.51038   -177.12826   2.00000
   27   27               -12.55272     -6.27636   -170.76134   2.00000
   28   28               -12.55229     -6.27615   -170.75550   2.00000
   29   29               -12.55226     -6.27613   -170.75505   2.00000
   30   30               -12.54656     -6.27328   -170.67755   2.00000
   31   31               -12.54617     -6.27309   -170.67225   2.00000
   32   32               -12.40086     -6.20043   -168.69551   2.00000
   33   33               -12.40069     -6.20035   -168.69320   2.00000
   34   34               -12.15379     -6.07690   -165.33449   2.00000
   35   35               -12.07392     -6.03696   -164.24798   2.00000
   36   36               -12.07349     -6.03674   -164.24205   2.00000
   37   37               -11.92148     -5.96074   -162.17422   2.00000
   38   38               -11.92134     -5.96067   -162.17227   2.00000
   39   39                -2.47836     -1.23918    -33.71439   2.00000
   40   40                -2.46134     -1.23067    -33.48288   2.00000
   41   41                -2.15916     -1.07958    -29.37221   2.00000
   42   42                -2.05425     -1.02713    -27.94510   2.00000
   43   43                -2.03966     -1.01983    -27.74658   2.00000
   44   44                -1.97909     -0.98955    -26.92267   2.00000
   45   45                -1.91596     -0.95798    -26.06380   2.00000
   46   46                -1.74436     -0.87218    -23.72952   2.00000
   47   47                -1.73788     -0.86894    -23.64134   2.00000
   48   48                -1.60487     -0.80244    -21.83194   2.00000
   49   49                -1.59419     -0.79710    -21.68663   2.00000
   50   50                -1.55925     -0.77963    -21.21136   2.00000
   51   51                -1.50839     -0.75420    -20.51946   2.00000
   52   52                -1.46644     -0.73322    -19.94876   2.00000
   53   53                -1.44133     -0.72067    -19.60721   2.00000
   54   54                -1.43525     -0.71762    -19.52442   2.00000
   55   55                -1.29397     -0.64699    -17.60260   2.00000
   56   56                -1.28370     -0.64185    -17.46289   2.00000
   57   57                -1.27527     -0.63764    -17.34820   2.00000
   58   58                -1.27199     -0.63600    -17.30362   2.00000
   59   59                -1.23339     -0.61670    -16.77852   2.00000
   60   60                -1.22783     -0.61392    -16.70289   2.00000
   61   61                -1.22150     -0.61075    -16.61677   2.00000
   62   62                -1.20633     -0.60317    -16.41040   2.00000
   63   63                -1.16790     -0.58395    -15.88750   2.00000
   64   64                -1.14458     -0.57229    -15.57036   2.00000
   65   65                -1.13822     -0.56911    -15.48377   2.00000
   66   66                -1.08801     -0.54400    -14.80074   2.00000
   67   67                -1.07650     -0.53825    -14.64425   2.00000
   68   68                -1.05958     -0.52979    -14.41402   2.00000
   69   69                -1.01722     -0.50861    -13.83783   2.00000
   70   70                -1.01089     -0.50545    -13.75173   2.00000
   71   71                -0.99278     -0.49639    -13.50537   2.00000
   72   72                -0.98573     -0.49286    -13.40940   2.00000
   73   73                -0.98364     -0.49182    -13.38102   2.00000
   74   74                -0.97561     -0.48780    -13.27172   2.00000
   75   75                -0.91255     -0.45628    -12.41395   2.00000
   76   76                -0.85516     -0.42758    -11.63317   2.00000
   77   77                -0.81622     -0.40811    -11.10348   2.00000
   78   78                -0.80026     -0.40013    -10.88640   2.00000
   79   79                -0.78861     -0.39430    -10.72785   2.00000
   80   80                -0.78647     -0.39324    -10.69881   2.00000
   81   81                -0.78309     -0.39154    -10.65278   2.00000
   82   82                -0.75876     -0.37938    -10.32185   2.00000
   83   83                -0.75275     -0.37637    -10.24003   2.00000
   84   84                -0.72468     -0.36234     -9.85815   2.00000
   85   85                -0.71774     -0.35887     -9.76376   2.00000
   86   86                -0.69712     -0.34856     -9.48329   2.00000
   87   87                -0.61296     -0.30648     -8.33845   2.00000
   88   88                -0.57854     -0.28927     -7.87014   2.00000
   89   89                -0.56285     -0.28142     -7.65670   2.00000
   90   90                -0.53160     -0.26580     -7.23160   2.00000
   91   91                -0.52730     -0.26365     -7.17315   2.00000
   92   92                -0.48975     -0.24488     -6.66235   2.00000
   93   93                -0.48095     -0.24048     -6.54265   2.00000
   94   94                -0.45800     -0.22900     -6.23041   2.00000
   95   95                -0.45436     -0.22718     -6.18095   2.00000
   96   96                -0.40552     -0.20276     -5.51650   2.00000
   97   97                -0.36031     -0.18015     -4.90147   2.00000
   98   98                -0.35066     -0.17533     -4.77016   2.00000
   99   99                -0.33483     -0.16741     -4.55485   2.00000
  100  100                -0.25480     -0.12740     -3.46617   2.00000
  101  101                -0.24430     -0.12215     -3.32338   2.00000
  102  102                -0.23639     -0.11820     -3.21578   2.00000
  103  103                -0.17923     -0.08961     -2.43816   2.00000
  104  104                -0.16628     -0.08314     -2.26204   2.00000
  105  105                -0.14101     -0.07051     -1.91826   2.00000
  106  106                -0.13141     -0.06571     -1.78768   2.00000
  107  107                -0.12623     -0.06311     -1.71716   2.00000
  108  108                -0.10166     -0.05083     -1.38296   2.00000
  109  109                -0.09085     -0.04543     -1.23588   2.00000
  110  110                -0.07155     -0.03578     -0.97333   2.00000
  111  111                -0.04976     -0.02488     -0.67691   2.00000
  112  112                -0.04186     -0.02093     -0.56940   2.00000
  113  113                -0.03336     -0.01668     -0.45375   2.00000
  114  114                -0.02861     -0.01430     -0.38914   2.00000
  115  115                -0.01379     -0.00689     -0.18755   0.00000
  116  116                 0.00094      0.00047      0.01277   0.00000
  117  117                 0.01950      0.00975      0.26529   0.00000
  118  118                 0.02214      0.01107      0.30118   0.00000
  119  119                 0.02504      0.01252      0.34059   0.00000
  120  120                 0.14777      0.07389      2.01022   0.00000
  121  121                 0.14941      0.07470      2.03246   0.00000
  122  122                 0.19218      0.09609      2.61439   0.00000
  123  123                 0.19519      0.09759      2.65521   0.00000
  124  124                 0.23481      0.11741      3.19428   0.00000
  125  125                 0.31686      0.15843      4.31043   0.00000
  126  126                 0.34704      0.17352      4.72099   0.00000
  127  127                 0.35286      0.17643      4.80021   0.00000
  128  128                 0.39935      0.19968      5.43261   0.00000
  129  129                 0.43157      0.21579      5.87091   0.00000
  130  130                 0.46509      0.23254      6.32686   0.00000
  131  131                 0.46714      0.23357      6.35479   0.00000
  132  132                 0.48288      0.24144      6.56891   0.00000
  133  133                 0.54707      0.27353      7.44203   0.00000
  134  134                 0.56220      0.28110      7.64792   0.00000
  135  135                 0.56658      0.28329      7.70753   0.00000
  136  136                 0.56804      0.28402      7.72734   0.00000
  137  137                 0.57668      0.28834      7.84491   0.00000
  138  138                 0.63435      0.31717      8.62936   0.00000
  139  139                 0.66860      0.33430      9.09533   0.00000
  140  140                 0.69079      0.34540      9.39720   0.00000
  141  141                 0.71736      0.35868      9.75861   0.00000
  142  142                 0.74081      0.37040     10.07762   0.00000
  143  143                 0.79577      0.39788     10.82524   0.00000
  144  144                 0.82923      0.41461     11.28040   0.00000
  145  145                 0.84956      0.42478     11.55702   0.00000
  146  146                 0.85277      0.42639     11.60070   0.00000
  147  147                 0.85921      0.42960     11.68822   0.00000
  148  148                 0.86479      0.43240     11.76424   0.00000
  149  149                 0.87314      0.43657     11.87784   0.00000
  150  150                 0.91427      0.45714     12.43735   0.00000
  151  151                 0.92996      0.46498     12.65076   0.00000
  152  152                 0.93885      0.46942     12.77164   0.00000
  153  153                 0.95623      0.47812     13.00815   0.00000
  154  154                 0.98697      0.49348     13.42623   0.00000
  155  155                 1.01793      0.50897     13.84745   0.00000
  156  156                 1.03399      0.51700     14.06594   0.00000
  157  157                 1.06594      0.53297     14.50058   0.00000
  158  158                 1.06979      0.53490     14.55293   0.00000
  159  159                 1.14735      0.57367     15.60795   0.00000
  160  160                 1.15445      0.57722     15.70459   0.00000
  161  161                 1.16355      0.58177     15.82834   0.00000
  162  162                 1.18389      0.59194     16.10504   0.00000
  163  163                 1.20926      0.60463     16.45021   0.00000
  164  164                 1.22993      0.61497     16.73145   0.00000
  165  165                 1.27089      0.63544     17.28856   0.00000
  166  166                 1.30075      0.65038     17.69483   0.00000
  167  167                 1.33091      0.66545     18.10502   0.00000
  168  168                 1.34813      0.67406     18.33932   0.00000
  169  169                 1.34890      0.67445     18.34986   0.00000
  170  170                 1.36889      0.68445     18.62180   0.00000
  171  171                 1.38003      0.69002     18.77335   0.00000
  172  172                 1.39899      0.69950     19.03121   0.00000
  173  173                 1.44573      0.72287     19.66707   0.00000
  174  174                 1.46555      0.73277     19.93664   0.00000
  175  175                 1.47148      0.73574     20.01732   0.00000
  176  176                 1.50334      0.75167     20.45071   0.00000
  177  177                 1.55957      0.77979     21.21571   0.00000
  178  178                 1.58183      0.79092     21.51852   0.00000
  179  179                 1.60524      0.80262     21.83687   0.00000
  180  180                 1.61742      0.80871     22.00263   0.00000
  181  181                 1.67032      0.83516     22.72230   0.00000
  182  182                 1.68157      0.84079     22.87534   0.00000
  183  183                 1.72883      0.86441     23.51815   0.00000
  184  184                 1.78052      0.89026     24.22134   0.00000
  185  185                 1.86831      0.93415     25.41559   0.00000
  186  186                 1.87928      0.93964     25.56490   0.00000
  187  187                 1.91964      0.95982     26.11390   0.00000
  188  188                 1.99683      0.99841     27.16390   0.00000
  189  189                 2.07263      1.03632     28.19512   0.00000
  190  190                 2.09322      1.04661     28.47512   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    0    1
