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  C H              3 ATOMS OF  C H              6 ATOMS OF  C H              3 ATOMS OF  C H
              6 ATOMS OF  C H              1 ATOMS OF  C H              3 ATOMS OF  C H              6 ATOMS OF  C H
              3 ATOMS OF  C H              6 ATOMS OF  C 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


           C HFS ATOM CALC.                       

              1  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              2  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              3  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              4  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              5  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              6  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              7  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              8  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

              9  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


           C HFS ATOM CALC.                       

             10  300 MESH POINTS,    3 CORES USED

          ATOM NO. =  6.0 XALPHA =   0.70000MESH INCREMENT IN LOG SCALE =   0.03125


          FOLLOWING CORES USED

              1    LOCOR =  1    NNLZ = 100    NO.OF ELECTRONS =   2.00036
              2    LOCOR =  1    NNLZ = 200    NO.OF ELECTRONS =   1.12798
              3    LOCOR =  1    NNLZ = 210    NO.OF ELECTRONS =   2.95464
              4    LOCOR =  2    NNLZ = 100    NO.OF ELECTRONS =   1.99995
              5    LOCOR =  2    NNLZ = 200    NO.OF ELECTRONS =   1.13426
              6    LOCOR =  2    NNLZ = 210    NO.OF ELECTRONS =   2.71193
              7    LOCOR =  3    NNLZ = 100    NO.OF ELECTRONS =   2.00007
              8    LOCOR =  3    NNLZ = 200    NO.OF ELECTRONS =   1.12194
              9    LOCOR =  3    NNLZ = 210    NO.OF ELECTRONS =   2.94544
             10    LOCOR =  4    NNLZ = 100    NO.OF ELECTRONS =   2.00004
             11    LOCOR =  4    NNLZ = 200    NO.OF ELECTRONS =   1.39591
             12    LOCOR =  4    NNLZ = 210    NO.OF ELECTRONS =   2.63866
             13    LOCOR =  5    NNLZ = 100    NO.OF ELECTRONS =   2.00006
             14    LOCOR =  5    NNLZ = 200    NO.OF ELECTRONS =   1.74293
             15    LOCOR =  5    NNLZ = 210    NO.OF ELECTRONS =   2.23506
             16    LOCOR =  6    NNLZ = 100    NO.OF ELECTRONS =   2.00004
             17    LOCOR =  6    NNLZ = 200    NO.OF ELECTRONS =   1.13181
             18    LOCOR =  6    NNLZ = 210    NO.OF ELECTRONS =   2.95968
             19    LOCOR =  7    NNLZ = 100    NO.OF ELECTRONS =   2.00015
             20    LOCOR =  7    NNLZ = 200    NO.OF ELECTRONS =   1.13320
             21    LOCOR =  7    NNLZ = 210    NO.OF ELECTRONS =   2.70817
             22    LOCOR =  8    NNLZ = 100    NO.OF ELECTRONS =   2.00012
             23    LOCOR =  8    NNLZ = 200    NO.OF ELECTRONS =   1.12244
             24    LOCOR =  8    NNLZ = 210    NO.OF ELECTRONS =   2.94716
             25    LOCOR =  9    NNLZ = 100    NO.OF ELECTRONS =   2.00001
             26    LOCOR =  9    NNLZ = 200    NO.OF ELECTRONS =   1.39217
             27    LOCOR =  9    NNLZ = 210    NO.OF ELECTRONS =   2.64001
             28    LOCOR = 10    NNLZ = 100    NO.OF ELECTRONS =   2.00007
             29    LOCOR = 10    NNLZ = 200    NO.OF ELECTRONS =   1.74124
             30    LOCOR = 10    NNLZ = 210    NO.OF ELECTRONS =   2.23704


           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                                              C H USE POTENTIAL
+                                             0.02632      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -1.34416      0.00000                                              C H USE POTENTIAL
+                                             0.05263      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -1.34416      0.00000                                              C H USE POTENTIAL
+                                             0.07895      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000      2.68831      0.00000                                              C H USE POTENTIAL
+                                             0.10526      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      0.00000      0.00000                                              C H USE POTENTIAL
+                                             0.13158      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      0.00000      0.00000                                              C H USE POTENTIAL
+                                             0.15789      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      4.03247      0.00000                                              C H USE POTENTIAL
+                                             0.18421      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -4.03247      0.00000                                              C H USE POTENTIAL
+                                             0.21053      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      4.03247      0.00000                                              C H USE POTENTIAL
+                                             0.23684      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -4.03247      0.00000                                              C H USE POTENTIAL
+                                             0.26316      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000     -5.37661      0.00000                                              C H USE POTENTIAL
+                                             0.28947      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      2.68831      0.00000                                              C H USE POTENTIAL
+                                             0.31579      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      2.68831      0.00000                                              C H USE POTENTIAL
+                                             0.34211      1.00000      1.50000                            AND WAVE FUNCTIONS
      6.98443     -1.34416      0.00000                                              C H USE POTENTIAL
+                                             0.36842      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629     -5.37661      0.00000                                              C H USE POTENTIAL
+                                             0.39474      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629     -5.37661      0.00000                                              C H USE POTENTIAL
+                                             0.42105      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      6.72078      0.00000                                              C H USE POTENTIAL
+                                             0.44737      1.00000      1.50000                            AND WAVE FUNCTIONS
     -6.98443     -1.34416      0.00000                                              C H USE POTENTIAL
+                                             0.47368      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      6.72078      0.00000                                              C H USE POTENTIAL
+                                             0.50000      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000      0.00000      6.34098                                              C H USE POTENTIAL
+                                             0.52632      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      1.34416      6.34098                                              C H USE POTENTIAL
+                                             0.55263      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000     -2.68831      6.34098                                              C H USE POTENTIAL
+                                             0.57895      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      1.34416      6.34098                                              C H USE POTENTIAL
+                                             0.60526      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      0.00000      6.34098                                              C H USE POTENTIAL
+                                             0.63158      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      0.00000      6.34098                                              C H USE POTENTIAL
+                                             0.65789      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814      4.03247      6.34098                                              C H USE POTENTIAL
+                                             0.68421      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -4.03247      6.34098                                              C H USE POTENTIAL
+                                             0.71053      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814      4.03247      6.34098                                              C H USE POTENTIAL
+                                             0.73684      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -4.03247      6.34098                                              C H USE POTENTIAL
+                                             0.76316      1.00000      1.50000                            AND WAVE FUNCTIONS
      0.00000      5.37661      6.34098                                              C H USE POTENTIAL
+                                             0.78947      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629     -2.68831      6.34098                                              C H USE POTENTIAL
+                                             0.81579      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629     -2.68831      6.34098                                              C H USE POTENTIAL
+                                             0.84211      1.00000      1.50000                            AND WAVE FUNCTIONS
     -6.98443      1.34416      6.34098                                              C H USE POTENTIAL
+                                             0.86842      1.00000      1.50000                            AND WAVE FUNCTIONS
     -4.65629      5.37661      6.34098                                              C H USE POTENTIAL
+                                             0.89474      1.00000      1.50000                            AND WAVE FUNCTIONS
     -2.32814     -6.72078      6.34098                                              C H USE POTENTIAL
+                                             0.92105      1.00000      1.50000                            AND WAVE FUNCTIONS
      4.65629      5.37661      6.34098                                              C H USE POTENTIAL
+                                             0.94737      1.00000      1.50000                            AND WAVE FUNCTIONS
      2.32814     -6.72078      6.34098                                              C H USE POTENTIAL
+                                             0.97368      1.00000      1.50000                            AND WAVE FUNCTIONS
      6.98443      1.34416      6.34098                                              C H USE POTENTIAL
+                                             1.00000      1.00000      1.50000                            AND WAVE FUNCTIONS


          VECBAS =    0.1414213562E+01    0.1732050808E+01    0.2236067977E+01
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 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430400978E+03   -0.2292104309E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99598E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244705805E+02   -0.1300257765E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069853969E-04   -0.9922568920E-11   -0.9187563815E-10


 ***TOTAL****    0.2679815333E-03   -0.2931761903E-10   -0.2714594355E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431862597E+03   -0.2292555184E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370725098E+02   -0.1338860573E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89146E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70054E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530658685E-04   -0.1042669683E-10   -0.9654348920E-10


 ***TOTAL****    0.2584647921E-03   -0.2827647194E-10   -0.2618191847E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750154E+03   -0.2292212023E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252855370E+02   -0.1302754177E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100110590E-04   -0.9955670159E-11   -0.9218213111E-10


 ***TOTAL****    0.2680382974E-03   -0.2932382911E-10   -0.2715169362E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427195925E+03   -0.2291115602E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98420E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276244426E+02   -0.1309918820E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188836525E-04   -0.1005273779E-10   -0.9308090543E-10


 ***TOTAL****    0.2424621539E-03   -0.2652575709E-10   -0.2456088619E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422747042E+03   -0.2289743193E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314651502E+02   -0.1321683852E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73900E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334007891E-04   -0.1021155764E-10   -0.9455145964E-10


 ***TOTAL****    0.2086206768E-03   -0.2282344402E-10   -0.2113281854E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526749E+03   -0.2292143107E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240647864E+02   -0.1299014718E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056195820E-04   -0.9907626681E-11   -0.9173728409E-10


 ***TOTAL****    0.2680344165E-03   -0.2932340454E-10   -0.2715130050E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431768648E+03   -0.2292526202E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373025179E+02   -0.1339565145E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69909E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538472437E-04   -0.1043524521E-10   -0.9662264079E-10


 ***TOTAL****    0.2583180490E-03   -0.2826041801E-10   -0.2616705371E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59718 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698260E+03   -0.2292196015E-03    0.0000000000E+00


              2   E=       -2.21611 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99319E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251650395E+02   -0.1302385064E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095604154E-04   -0.9950740045E-11   -0.9213648189E-10


 ***TOTAL****    0.2680620074E-03   -0.2932642303E-10   -0.2715409540E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280561E+03   -0.2291141710E-03    0.0000000000E+00


              2   E=       -2.23537 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98370E+01   0.58126E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277469782E+02   -0.1310294177E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193338028E-04   -0.1005766250E-10   -0.9312650467E-10


 ***TOTAL****    0.2427050433E-03   -0.2655232959E-10   -0.2458549036E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65679 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759853E+03   -0.2289747145E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314435682E+02   -0.1321617741E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10977E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333153154E-04   -0.1021062254E-10   -0.9454280134E-10


 ***TOTAL****    0.2087863693E-03   -0.2284157106E-10   -0.2114960283E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95466        2.95466
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40251        1.13417
    6    2  210        2.71193        8.13526        2.71175
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73189        1.12198
    9    3  210        2.94544       17.67271        2.94545
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18731        1.39577
   12    4  210        2.63866        7.91345        2.63782
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45769        1.74295
   15    5  210        2.23506       13.40680        2.23447
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95977        2.95977
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39951        1.13317
   21    7  210        2.70817        8.12466        2.70822
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73500        1.12250
   24    8  210        2.94716       17.68359        2.94726
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17716        1.39239
   27    9  210        2.64001        7.92237        2.64079
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44768        1.74128
   30   10  210        2.23704       13.42530        2.23755



     M,D,TOLM =   30   0.696585-308   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.290687E-03 0.291728E+00 0.291725E+00 0.100936E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.111919E+03 0.111920E+03 0.263567E-03 0.569287E-09 0.569261E-09 0.467365E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.395848E-03 0.270086E+00 0.270082E+00 0.155308E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.121079E+03 0.121079E+03 0.493272E-03 0.187793E-08 0.187741E-08 0.278264E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.477040E-03 0.650778E-09 0.650635E-09 0.219754E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.249968E-03 0.467654E-09 0.467662E-09 0.162275E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119886E+03 0.119887E+03 0.410716E-03 0.253863E+00 0.253872E+00 0.354877E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.267672E-03 0.204793E-07 0.204798E-07 0.217288E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.120705E+03 0.120706E+03 0.112721E-02 0.841921E-09 0.842164E-09 0.288075E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.553153E-03 0.651701E-09 0.651835E-09 0.205421E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42641     -9.71320   -264.26770   2.00000
    2    2               -19.42626     -9.71313   -264.26576   2.00000
    3    3               -19.42613     -9.71306   -264.26390   2.00000
    4    4               -19.42608     -9.71304   -264.26333   2.00000
    5    5               -19.42599     -9.71299   -264.26201   2.00000
    6    6               -19.42594     -9.71297   -264.26131   2.00000
    7    7               -19.39449     -9.69725   -263.83358   2.00000
    8    8               -19.39192     -9.69596   -263.79852   2.00000
    9    9               -19.31893     -9.65947   -262.80567   2.00000
   10   10               -19.31892     -9.65946   -262.80545   2.00000
   11   11               -19.31883     -9.65942   -262.80433   2.00000
   12   12               -19.31883     -9.65942   -262.80430   2.00000
   13   13               -19.31882     -9.65941   -262.80419   2.00000
   14   14               -19.31874     -9.65937   -262.80308   2.00000
   15   15               -19.31805     -9.65903   -262.79372   2.00000
   16   16               -19.31798     -9.65899   -262.79272   2.00000
   17   17               -19.31795     -9.65897   -262.79231   2.00000
   18   18               -19.31794     -9.65897   -262.79219   2.00000
   19   19               -19.31793     -9.65897   -262.79209   2.00000
   20   20               -19.31792     -9.65896   -262.79191   2.00000
   21   21               -19.30732     -9.65366   -262.64774   2.00000
   22   22               -19.30731     -9.65366   -262.64758   2.00000
   23   23               -19.30731     -9.65365   -262.64754   2.00000
   24   24               -19.30729     -9.65364   -262.64724   2.00000
   25   25               -19.30725     -9.65363   -262.64680   2.00000
   26   26               -19.30721     -9.65360   -262.64619   2.00000
   27   27               -19.30648     -9.65324   -262.63623   2.00000
   28   28               -19.30638     -9.65319   -262.63486   2.00000
   29   29               -19.30635     -9.65317   -262.63447   2.00000
   30   30               -19.30635     -9.65317   -262.63445   2.00000
   31   31               -19.30632     -9.65316   -262.63414   2.00000
   32   32               -19.30630     -9.65315   -262.63380   2.00000
   33   33               -19.27298     -9.63649   -262.18050   2.00000
   34   34               -19.27280     -9.63640   -262.17812   2.00000
   35   35               -19.27271     -9.63636   -262.17692   2.00000
   36   36               -19.27201     -9.63600   -262.16734   2.00000
   37   37               -19.27189     -9.63595   -262.16580   2.00000
   38   38               -19.27186     -9.63593   -262.16531   2.00000
   39   39                -1.44187     -0.72094    -19.61455   2.00000
   40   40                -1.43082     -0.71541    -19.46421   2.00000
   41   41                -1.31795     -0.65897    -17.92871   2.00000
   42   42                -1.31649     -0.65824    -17.90887   2.00000
   43   43                -1.30780     -0.65390    -17.79074   2.00000
   44   44                -1.30640     -0.65320    -17.77171   2.00000
   45   45                -1.17559     -0.58780    -15.99223   2.00000
   46   46                -1.17485     -0.58743    -15.98217   2.00000
   47   47                -1.16635     -0.58318    -15.86650   2.00000
   48   48                -1.16553     -0.58276    -15.85526   2.00000
   49   49                -1.15648     -0.57824    -15.73227   2.00000
   50   50                -1.14708     -0.57354    -15.60432   2.00000
   51   51                -1.07012     -0.53506    -14.55740   2.00000
   52   52                -1.06121     -0.53061    -14.43624   2.00000
   53   53                -0.95927     -0.47963    -13.04944   2.00000
   54   54                -0.95851     -0.47926    -13.03917   2.00000
   55   55                -0.95277     -0.47638    -12.96103   2.00000
   56   56                -0.95193     -0.47596    -12.94958   2.00000
   57   57                -0.94003     -0.47002    -12.78777   2.00000
   58   58                -0.93254     -0.46627    -12.68586   2.00000
   59   59                -0.85310     -0.42655    -11.60517   2.00000
   60   60                -0.85144     -0.42572    -11.58260   2.00000
   61   61                -0.84759     -0.42379    -11.53018   2.00000
   62   62                -0.84603     -0.42302    -11.50901   2.00000
   63   63                -0.76571     -0.38286    -10.41640   2.00000
   64   64                -0.76003     -0.38002    -10.33914   2.00000
   65   65                -0.69730     -0.34865     -9.48576   2.00000
   66   66                -0.69676     -0.34838     -9.47845   2.00000
   67   67                -0.69241     -0.34621     -9.41927   2.00000
   68   68                -0.69173     -0.34587     -9.41001   2.00000
   69   69                -0.65756     -0.32878     -8.94513   2.00000
   70   70                -0.65342     -0.32671     -8.88880   2.00000
   71   71                -0.62102     -0.31051     -8.44801   2.00000
   72   72                -0.62029     -0.31015     -8.43816   2.00000
   73   73                -0.61758     -0.30879     -8.40132   2.00000
   74   74                -0.61676     -0.30838     -8.39018   2.00000
   75   75                -0.58239     -0.29119     -7.92252   2.00000
   76   76                -0.52813     -0.26407     -7.18448   2.00000
   77   77                -0.52276     -0.26138     -7.11144   2.00000
   78   78                -0.52216     -0.26108     -7.10319   2.00000
   79   79                -0.51904     -0.25952     -7.06075   2.00000
   80   80                -0.51844     -0.25922     -7.05265   2.00000
   81   81                -0.48411     -0.24205     -6.58557   2.00000
   82   82                -0.48114     -0.24057     -6.54522   2.00000
   83   83                -0.44716     -0.22358     -6.08297   2.00000
   84   84                -0.44660     -0.22330     -6.07540   2.00000
   85   85                -0.39878     -0.19939     -5.42480   2.00000
   86   86                -0.39851     -0.19926     -5.42116   2.00000
   87   87                -0.31832     -0.15916     -4.33024   2.00000
   88   88                -0.31678     -0.15839     -4.30936   2.00000
   89   89                -0.30936     -0.15468     -4.20836   2.00000
   90   90                -0.30877     -0.15439     -4.20040   2.00000
   91   91                -0.28802     -0.14401     -3.91806   2.00000
   92   92                -0.26990     -0.13495     -3.67160   2.00000
   93   93                -0.26968     -0.13484     -3.66859   2.00000
   94   94                -0.26754     -0.13377     -3.63950   2.00000
   95   95                -0.26702     -0.13351     -3.63240   2.00000
   96   96                -0.26611     -0.13306     -3.62009   2.00000
   97   97                -0.26598     -0.13299     -3.61827   2.00000
   98   98                -0.24711     -0.12355     -3.36150   2.00000
   99   99                -0.24177     -0.12088     -3.28891   2.00000
  100  100                -0.24115     -0.12058     -3.28054   2.00000
  101  101                -0.24007     -0.12003     -3.26580   2.00000
  102  102                -0.23960     -0.11980     -3.25934   2.00000
  103  103                -0.22442     -0.11221     -3.05292   2.00000
  104  104                -0.22242     -0.11121     -3.02570   2.00000
  105  105                -0.21161     -0.10581     -2.87871   2.00000
  106  106                -0.17357     -0.08678     -2.36112   2.00000
  107  107                -0.11489     -0.05744     -1.56287   2.00000
  108  108                -0.11318     -0.05659     -1.53971   2.00000
  109  109                -0.08402     -0.04201     -1.14303   2.00000
  110  110                -0.08051     -0.04025     -1.09518   2.00000
  111  111                -0.05821     -0.02910     -0.79183   2.00000
  112  112                -0.05723     -0.02861     -0.77850   2.00000
  113  113                -0.05514     -0.02757     -0.75013   2.00000
  114  114                -0.05313     -0.02656     -0.72270   2.00000
  115  115                -0.05266     -0.02633     -0.71638   0.00000
  116  116                -0.05226     -0.02613     -0.71098   0.00000
  117  117                -0.05159     -0.02580     -0.70184   0.00000
  118  118                -0.05115     -0.02558     -0.69584   0.00000
  119  119                -0.03855     -0.01928     -0.52443   0.00000
  120  120                -0.03769     -0.01885     -0.51278   0.00000
  121  121                -0.02795     -0.01398     -0.38028   0.00000
  122  122                -0.02691     -0.01345     -0.36604   0.00000
  123  123                -0.00133     -0.00067     -0.01815   0.00000
  124  124                 0.01217      0.00608      0.16550   0.00000
  125  125                 0.02962      0.01481      0.40294   0.00000
  126  126                 0.03050      0.01525      0.41491   0.00000
  127  127                 0.03849      0.01925      0.52362   0.00000
  128  128                 0.03951      0.01975      0.53742   0.00000
  129  129                 0.13992      0.06996      1.90343   0.00000
  130  130                 0.14075      0.07037      1.91466   0.00000
  131  131                 0.14206      0.07103      1.93258   0.00000
  132  132                 0.14293      0.07147      1.94441   0.00000
  133  133                 0.17062      0.08531      2.32098   0.00000
  134  134                 0.17252      0.08626      2.34684   0.00000
  135  135                 0.21481      0.10740      2.92215   0.00000
  136  136                 0.22707      0.11353      3.08894   0.00000
  137  137                 0.23481      0.11741      3.19428   0.00000
  138  138                 0.24948      0.12474      3.39387   0.00000
  139  139                 0.31271      0.15635      4.25394   0.00000
  140  140                 0.31308      0.15654      4.25906   0.00000
  141  141                 0.32564      0.16282      4.42990   0.00000
  142  142                 0.32600      0.16300      4.43476   0.00000
  143  143                 0.47325      0.23663      6.43787   0.00000
  144  144                 0.47351      0.23675      6.44140   0.00000
  145  145                 0.48598      0.24299      6.61105   0.00000
  146  146                 0.48636      0.24318      6.61621   0.00000
  147  147                 0.63022      0.31511      8.57325   0.00000
  148  148                 0.64061      0.32031      8.71458   0.00000
  149  149                 0.79376      0.39688     10.79792   0.00000
  150  150                 0.79487      0.39744     10.81305   0.00000
  151  151                 0.79648      0.39824     10.83492   0.00000
  152  152                 0.79762      0.39881     10.85044   0.00000
  153  153                 0.83633      0.41817     11.37707   0.00000
  154  154                 0.84143      0.42072     11.44646   0.00000
  155  155                 0.85502      0.42751     11.63129   0.00000
  156  156                 0.85581      0.42790     11.64199   0.00000
  157  157                 0.85634      0.42817     11.64923   0.00000
  158  158                 0.85709      0.42855     11.65945   0.00000
  159  159                 0.95836      0.47918     13.03712   0.00000
  160  160                 0.96177      0.48088     13.08342   0.00000
  161  161                 0.97742      0.48871     13.29633   0.00000
  162  162                 0.97876      0.48938     13.31453   0.00000
  163  163                 0.98006      0.49003     13.33223   0.00000
  164  164                 0.98149      0.49075     13.35176   0.00000
  165  165                 1.01017      0.50509     13.74190   0.00000
  166  166                 1.01371      0.50686     13.79010   0.00000
  167  167                 1.07130      0.53565     14.57350   0.00000
  168  168                 1.07227      0.53614     14.58669   0.00000
  169  169                 1.12973      0.56487     15.36836   0.00000
  170  170                 1.13157      0.56579     15.39337   0.00000
  171  171                 1.13206      0.56603     15.39996   0.00000
  172  172                 1.13377      0.56688     15.42325   0.00000
  173  173                 1.16555      0.58277     15.85557   0.00000
  174  174                 1.16668      0.58334     15.87095   0.00000
  175  175                 1.22766      0.61383     16.70056   0.00000
  176  176                 1.22845      0.61423     16.71131   0.00000
  177  177                 1.22930      0.61465     16.72289   0.00000
  178  178                 1.23073      0.61536     16.74223   0.00000
  179  179                 1.36467      0.68233     18.56428   0.00000
  180  180                 1.36604      0.68302     18.58293   0.00000
  181  181                 1.37307      0.68654     18.67864   0.00000
  182  182                 1.37337      0.68669     18.68274   0.00000
  183  183                 1.37496      0.68748     18.70436   0.00000
  184  184                 1.37539      0.68769     18.71015   0.00000
  185  185                 1.40121      0.70060     19.06136   0.00000
  186  186                 1.40355      0.70178     19.09327   0.00000
  187  187                 1.57574      0.78787     21.43560   0.00000
  188  188                 1.57604      0.78802     21.43977   0.00000
  189  189                 1.57648      0.78824     21.44563   0.00000
  190  190                 1.57807      0.78903     21.46731   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    9    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430401139E+03   -0.2292104359E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99598E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244706860E+02   -0.1300258088E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069859067E-04   -0.9922574497E-11   -0.9187568979E-10


 ***TOTAL****    0.2679817025E-03   -0.2931763754E-10   -0.2714596069E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431863186E+03   -0.2292555365E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370726043E+02   -0.1338860863E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530655308E-04   -0.1042669314E-10   -0.9654345499E-10


 ***TOTAL****    0.2584645566E-03   -0.2827644618E-10   -0.2618189461E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750424E+03   -0.2292212106E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252857563E+02   -0.1302754849E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100119714E-04   -0.9955680141E-11   -0.9218222353E-10


 ***TOTAL****    0.2680385748E-03   -0.2932385947E-10   -0.2715172173E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427196130E+03   -0.2291115665E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98419E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276250418E+02   -0.1309920656E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188860669E-04   -0.1005276420E-10   -0.9308115000E-10


 ***TOTAL****    0.2424621350E-03   -0.2652575503E-10   -0.2456088429E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422747146E+03   -0.2289743225E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314655244E+02   -0.1321684998E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73899E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334022662E-04   -0.1021157380E-10   -0.9455160926E-10


 ***TOTAL****    0.2086205371E-03   -0.2282342874E-10   -0.2113280439E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526645E+03   -0.2292143075E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240646196E+02   -0.1299014207E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056190924E-04   -0.9907621325E-11   -0.9173723449E-10


 ***TOTAL****    0.2680343407E-03   -0.2932339625E-10   -0.2715129283E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431768007E+03   -0.2292526004E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373024281E+02   -0.1339564870E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538462029E-04   -0.1043523382E-10   -0.9662253536E-10


 ***TOTAL****    0.2583178068E-03   -0.2826039151E-10   -0.2616702918E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59717 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698029E+03   -0.2292195943E-03    0.0000000000E+00


              2   E=       -2.21610 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99319E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251647552E+02   -0.1302384193E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095602795E-04   -0.9950738558E-11   -0.9213646813E-10


 ***TOTAL****    0.2680620478E-03   -0.2932642745E-10   -0.2715409949E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280310E+03   -0.2291141633E-03    0.0000000000E+00


              2   E=       -2.23536 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98371E+01   0.58127E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277462901E+02   -0.1310292069E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193312187E-04   -0.1005763423E-10   -0.9312624290E-10


 ***TOTAL****    0.2427049683E-03   -0.2655232139E-10   -0.2458548277E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65678 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759715E+03   -0.2289747102E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314432049E+02   -0.1321616628E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10978E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333139157E-04   -0.1021060723E-10   -0.9454265955E-10


 ***TOTAL****    0.2087864597E-03   -0.2284158094E-10   -0.2114961198E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95473        2.95473
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40269        1.13423
    6    2  210        2.71193        8.13597        2.71199
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73202        1.12200
    9    3  210        2.94544       17.67325        2.94554
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18826        1.39609
   12    4  210        2.63865        7.91816        2.63939
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45783        1.74297
   15    5  210        2.23505       13.41361        2.23560
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95971        2.95971
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39938        1.13313
   21    7  210        2.70817        8.12400        2.70800
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73487        1.12248
   24    8  210        2.94716       17.68298        2.94716
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17599        1.39200
   27    9  210        2.64002        7.91737        2.63912
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44756        1.74126
   30   10  210        2.23704       13.41893        2.23649



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.287461E-03 0.458041E-09 0.458048E-09 0.157866E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.120250E+03 0.120250E+03 0.470355E-03 0.254021E+00 0.254031E+00 0.385416E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.318771E-03 0.203833E-07 0.203837E-07 0.187805E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.120962E+03 0.120963E+03 0.998747E-03 0.846134E-09 0.846361E-09 0.268413E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.557487E-03 0.650777E-09 0.650920E-09 0.218918E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.250672E-03 0.280984E+00 0.280981E+00 0.947860E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119886E+03 0.119887E+03 0.242420E-03 0.562935E-09 0.562911E-09 0.427339E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.340163E-03 0.270139E+00 0.270134E+00 0.170483E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.121182E+03 0.121181E+03 0.614687E-03 0.186900E-08 0.186845E-08 0.295185E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.475174E-03 0.651703E-09 0.651569E-09 0.204401E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42641     -9.71321   -264.26782   2.00000
    2    2               -19.42627     -9.71314   -264.26588   2.00000
    3    3               -19.42614     -9.71307   -264.26402   2.00000
    4    4               -19.42608     -9.71304   -264.26321   2.00000
    5    5               -19.42598     -9.71299   -264.26189   2.00000
    6    6               -19.42593     -9.71296   -264.26119   2.00000
    7    7               -19.39450     -9.69725   -263.83369   2.00000
    8    8               -19.39191     -9.69595   -263.79842   2.00000
    9    9               -19.31894     -9.65947   -262.80581   2.00000
   10   10               -19.31893     -9.65946   -262.80559   2.00000
   11   11               -19.31884     -9.65942   -262.80446   2.00000
   12   12               -19.31884     -9.65942   -262.80443   2.00000
   13   13               -19.31883     -9.65942   -262.80433   2.00000
   14   14               -19.31875     -9.65938   -262.80321   2.00000
   15   15               -19.31804     -9.65902   -262.79359   2.00000
   16   16               -19.31797     -9.65899   -262.79259   2.00000
   17   17               -19.31794     -9.65897   -262.79217   2.00000
   18   18               -19.31793     -9.65897   -262.79206   2.00000
   19   19               -19.31792     -9.65896   -262.79196   2.00000
   20   20               -19.31791     -9.65896   -262.79178   2.00000
   21   21               -19.30733     -9.65367   -262.64789   2.00000
   22   22               -19.30732     -9.65366   -262.64773   2.00000
   23   23               -19.30732     -9.65366   -262.64769   2.00000
   24   24               -19.30730     -9.65365   -262.64739   2.00000
   25   25               -19.30726     -9.65363   -262.64695   2.00000
   26   26               -19.30722     -9.65361   -262.64633   2.00000
   27   27               -19.30647     -9.65323   -262.63609   2.00000
   28   28               -19.30637     -9.65318   -262.63472   2.00000
   29   29               -19.30634     -9.65317   -262.63432   2.00000
   30   30               -19.30634     -9.65317   -262.63431   2.00000
   31   31               -19.30631     -9.65316   -262.63399   2.00000
   32   32               -19.30629     -9.65314   -262.63366   2.00000
   33   33               -19.27296     -9.63648   -262.18028   2.00000
   34   34               -19.27278     -9.63639   -262.17790   2.00000
   35   35               -19.27270     -9.63635   -262.17670   2.00000
   36   36               -19.27202     -9.63601   -262.16755   2.00000
   37   37               -19.27191     -9.63596   -262.16601   2.00000
   38   38               -19.27187     -9.63594   -262.16552   2.00000
   39   39                -1.44187     -0.72094    -19.61455   2.00000
   40   40                -1.43082     -0.71541    -19.46421   2.00000
   41   41                -1.31795     -0.65897    -17.92871   2.00000
   42   42                -1.31649     -0.65824    -17.90887   2.00000
   43   43                -1.30780     -0.65390    -17.79074   2.00000
   44   44                -1.30640     -0.65320    -17.77171   2.00000
   45   45                -1.17559     -0.58780    -15.99223   2.00000
   46   46                -1.17486     -0.58743    -15.98218   2.00000
   47   47                -1.16635     -0.58318    -15.86651   2.00000
   48   48                -1.16553     -0.58276    -15.85526   2.00000
   49   49                -1.15648     -0.57824    -15.73227   2.00000
   50   50                -1.14708     -0.57354    -15.60432   2.00000
   51   51                -1.07012     -0.53506    -14.55740   2.00000
   52   52                -1.06121     -0.53061    -14.43624   2.00000
   53   53                -0.95927     -0.47963    -13.04945   2.00000
   54   54                -0.95851     -0.47926    -13.03918   2.00000
   55   55                -0.95277     -0.47638    -12.96103   2.00000
   56   56                -0.95193     -0.47596    -12.94957   2.00000
   57   57                -0.94003     -0.47002    -12.78776   2.00000
   58   58                -0.93254     -0.46627    -12.68588   2.00000
   59   59                -0.85310     -0.42655    -11.60515   2.00000
   60   60                -0.85144     -0.42572    -11.58260   2.00000
   61   61                -0.84759     -0.42379    -11.53020   2.00000
   62   62                -0.84603     -0.42302    -11.50901   2.00000
   63   63                -0.76571     -0.38286    -10.41641   2.00000
   64   64                -0.76003     -0.38002    -10.33914   2.00000
   65   65                -0.69730     -0.34865     -9.48578   2.00000
   66   66                -0.69677     -0.34838     -9.47848   2.00000
   67   67                -0.69241     -0.34621     -9.41927   2.00000
   68   68                -0.69173     -0.34587     -9.40998   2.00000
   69   69                -0.65756     -0.32878     -8.94517   2.00000
   70   70                -0.65342     -0.32671     -8.88876   2.00000
   71   71                -0.62102     -0.31051     -8.44802   2.00000
   72   72                -0.62029     -0.31015     -8.43813   2.00000
   73   73                -0.61758     -0.30879     -8.40131   2.00000
   74   74                -0.61677     -0.30838     -8.39021   2.00000
   75   75                -0.58239     -0.29119     -7.92253   2.00000
   76   76                -0.52813     -0.26407     -7.18448   2.00000
   77   77                -0.52276     -0.26138     -7.11143   2.00000
   78   78                -0.52216     -0.26108     -7.10321   2.00000
   79   79                -0.51904     -0.25952     -7.06077   2.00000
   80   80                -0.51844     -0.25922     -7.05263   2.00000
   81   81                -0.48411     -0.24205     -6.58559   2.00000
   82   82                -0.48114     -0.24057     -6.54520   2.00000
   83   83                -0.44716     -0.22358     -6.08297   2.00000
   84   84                -0.44661     -0.22330     -6.07541   2.00000
   85   85                -0.39878     -0.19939     -5.42480   2.00000
   86   86                -0.39851     -0.19926     -5.42116   2.00000
   87   87                -0.31832     -0.15916     -4.33021   2.00000
   88   88                -0.31679     -0.15839     -4.30940   2.00000
   89   89                -0.30936     -0.15468     -4.20836   2.00000
   90   90                -0.30877     -0.15439     -4.20040   2.00000
   91   91                -0.28802     -0.14401     -3.91806   2.00000
   92   92                -0.26990     -0.13495     -3.67160   2.00000
   93   93                -0.26968     -0.13484     -3.66859   2.00000
   94   94                -0.26754     -0.13377     -3.63942   2.00000
   95   95                -0.26702     -0.13351     -3.63243   2.00000
   96   96                -0.26612     -0.13306     -3.62017   2.00000
   97   97                -0.26598     -0.13299     -3.61825   2.00000
   98   98                -0.24710     -0.12355     -3.36150   2.00000
   99   99                -0.24177     -0.12088     -3.28887   2.00000
  100  100                -0.24115     -0.12058     -3.28055   2.00000
  101  101                -0.24007     -0.12004     -3.26584   2.00000
  102  102                -0.23960     -0.11980     -3.25934   2.00000
  103  103                -0.22442     -0.11221     -3.05292   2.00000
  104  104                -0.22242     -0.11121     -3.02571   2.00000
  105  105                -0.21162     -0.10581     -2.87871   2.00000
  106  106                -0.17357     -0.08678     -2.36112   2.00000
  107  107                -0.11489     -0.05745     -1.56291   2.00000
  108  108                -0.11318     -0.05659     -1.53966   2.00000
  109  109                -0.08403     -0.04201     -1.14304   2.00000
  110  110                -0.08051     -0.04025     -1.09517   2.00000
  111  111                -0.05821     -0.02911     -0.79191   2.00000
  112  112                -0.05723     -0.02861     -0.77849   2.00000
  113  113                -0.05514     -0.02757     -0.75011   2.00000
  114  114                -0.05312     -0.02656     -0.72265   2.00000
  115  115                -0.05266     -0.02633     -0.71638   0.00000
  116  116                -0.05226     -0.02613     -0.71092   0.00000
  117  117                -0.05160     -0.02580     -0.70188   0.00000
  118  118                -0.05116     -0.02558     -0.69589   0.00000
  119  119                -0.03855     -0.01928     -0.52444   0.00000
  120  120                -0.03770     -0.01885     -0.51279   0.00000
  121  121                -0.02795     -0.01398     -0.38028   0.00000
  122  122                -0.02691     -0.01345     -0.36603   0.00000
  123  123                -0.00133     -0.00067     -0.01816   0.00000
  124  124                 0.01217      0.00608      0.16550   0.00000
  125  125                 0.02962      0.01481      0.40293   0.00000
  126  126                 0.03050      0.01525      0.41490   0.00000
  127  127                 0.03849      0.01925      0.52362   0.00000
  128  128                 0.03951      0.01975      0.53742   0.00000
  129  129                 0.13992      0.06996      1.90336   0.00000
  130  130                 0.14075      0.07038      1.91470   0.00000
  131  131                 0.14206      0.07103      1.93252   0.00000
  132  132                 0.14294      0.07147      1.94448   0.00000
  133  133                 0.17061      0.08531      2.32093   0.00000
  134  134                 0.17252      0.08626      2.34688   0.00000
  135  135                 0.21481      0.10740      2.92214   0.00000
  136  136                 0.22707      0.11353      3.08895   0.00000
  137  137                 0.23481      0.11741      3.19427   0.00000
  138  138                 0.24948      0.12474      3.39387   0.00000
  139  139                 0.31271      0.15635      4.25393   0.00000
  140  140                 0.31308      0.15654      4.25905   0.00000
  141  141                 0.32564      0.16282      4.42991   0.00000
  142  142                 0.32600      0.16300      4.43476   0.00000
  143  143                 0.47325      0.23663      6.43787   0.00000
  144  144                 0.47351      0.23675      6.44139   0.00000
  145  145                 0.48598      0.24299      6.61105   0.00000
  146  146                 0.48636      0.24318      6.61622   0.00000
  147  147                 0.63022      0.31511      8.57325   0.00000
  148  148                 0.64061      0.32031      8.71459   0.00000
  149  149                 0.79376      0.39688     10.79788   0.00000
  150  150                 0.79487      0.39743     10.81303   0.00000
  151  151                 0.79648      0.39824     10.83497   0.00000
  152  152                 0.79762      0.39881     10.85046   0.00000
  153  153                 0.83633      0.41816     11.37702   0.00000
  154  154                 0.84144      0.42072     11.44651   0.00000
  155  155                 0.85503      0.42751     11.63142   0.00000
  156  156                 0.85580      0.42790     11.64185   0.00000
  157  157                 0.85633      0.42816     11.64909   0.00000
  158  158                 0.85710      0.42855     11.65959   0.00000
  159  159                 0.95836      0.47918     13.03704   0.00000
  160  160                 0.96177      0.48089     13.08350   0.00000
  161  161                 0.97741      0.48870     13.29621   0.00000
  162  162                 0.97875      0.48938     13.31450   0.00000
  163  163                 0.98006      0.49003     13.33226   0.00000
  164  164                 0.98150      0.49075     13.35187   0.00000
  165  165                 1.01017      0.50508     13.74187   0.00000
  166  166                 1.01372      0.50686     13.79014   0.00000
  167  167                 1.07129      0.53565     14.57337   0.00000
  168  168                 1.07228      0.53614     14.58682   0.00000
  169  169                 1.12973      0.56486     15.36827   0.00000
  170  170                 1.13158      0.56579     15.39345   0.00000
  171  171                 1.13205      0.56603     15.39989   0.00000
  172  172                 1.13377      0.56689     15.42332   0.00000
  173  173                 1.16556      0.58278     15.85571   0.00000
  174  174                 1.16667      0.58333     15.87080   0.00000
  175  175                 1.22765      0.61383     16.70044   0.00000
  176  176                 1.22845      0.61423     16.71127   0.00000
  177  177                 1.22931      0.61465     16.72292   0.00000
  178  178                 1.23074      0.61537     16.74235   0.00000
  179  179                 1.36468      0.68234     18.56441   0.00000
  180  180                 1.36603      0.68301     18.58279   0.00000
  181  181                 1.37307      0.68654     18.67866   0.00000
  182  182                 1.37337      0.68669     18.68271   0.00000
  183  183                 1.37497      0.68749     18.70445   0.00000
  184  184                 1.37538      0.68769     18.71005   0.00000
  185  185                 1.40120      0.70060     19.06126   0.00000
  186  186                 1.40356      0.70178     19.09337   0.00000
  187  187                 1.57573      0.78786     21.43547   0.00000
  188  188                 1.57604      0.78802     21.43964   0.00000
  189  189                 1.57649      0.78824     21.44576   0.00000
  190  190                 1.57808      0.78904     21.46745   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    8    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430400876E+03   -0.2292104278E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99599E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244704305E+02   -0.1300257305E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21315E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069849555E-04   -0.9922564091E-11   -0.9187559344E-10


 ***TOTAL****    0.2679814902E-03   -0.2931761431E-10   -0.2714593918E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431861911E+03   -0.2292554972E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370725048E+02   -0.1338860558E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530651324E-04   -0.1042668878E-10   -0.9654341463E-10


 ***TOTAL****    0.2584644971E-03   -0.2827643967E-10   -0.2618188858E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430749966E+03   -0.2292211965E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252853172E+02   -0.1302753504E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100103315E-04   -0.9955662200E-11   -0.9218205741E-10


 ***TOTAL****    0.2680381699E-03   -0.2932381516E-10   -0.2715168071E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427195906E+03   -0.2291115596E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98420E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276244338E+02   -0.1309918793E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188837039E-04   -0.1005273835E-10   -0.9308091063E-10


 ***TOTAL****    0.2424620833E-03   -0.2652574936E-10   -0.2456087904E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422747011E+03   -0.2289743183E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314651404E+02   -0.1321683822E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73900E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334007637E-04   -0.1021155736E-10   -0.9455145706E-10


 ***TOTAL****    0.2086206343E-03   -0.2282343937E-10   -0.2113281423E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526897E+03   -0.2292143153E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240648493E+02   -0.1299014911E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056199606E-04   -0.9907630823E-11   -0.9173732243E-10


 ***TOTAL****    0.2680346224E-03   -0.2932342707E-10   -0.2715132136E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431769128E+03   -0.2292526350E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373025131E+02   -0.1339565130E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538465293E-04   -0.1043523739E-10   -0.9662256842E-10


 ***TOTAL****    0.2583177573E-03   -0.2826038610E-10   -0.2616702416E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59718 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698556E+03   -0.2292196106E-03    0.0000000000E+00


              2   E=       -2.21611 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99318E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251652437E+02   -0.1302385689E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095604542E-04   -0.9950740469E-11   -0.9213648582E-10


 ***TOTAL****    0.2680621010E-03   -0.2932643327E-10   -0.2715410488E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280540E+03   -0.2291141704E-03    0.0000000000E+00


              2   E=       -2.23537 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98370E+01   0.58126E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277469634E+02   -0.1310294132E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193338273E-04   -0.1005766277E-10   -0.9312650715E-10


 ***TOTAL****    0.2427049615E-03   -0.2655232064E-10   -0.2458548208E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65679 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759823E+03   -0.2289747135E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314435602E+02   -0.1321617717E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10977E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333152980E-04   -0.1021062235E-10   -0.9454279957E-10


 ***TOTAL****    0.2087863285E-03   -0.2284156659E-10   -0.2114959869E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95466        2.95466
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40251        1.13417
    6    2  210        2.71193        8.13526        2.71175
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73189        1.12198
    9    3  210        2.94544       17.67272        2.94545
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18732        1.39577
   12    4  210        2.63866        7.91348        2.63783
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45769        1.74295
   15    5  210        2.23506       13.40678        2.23446
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95977        2.95977
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39951        1.13317
   21    7  210        2.70817        8.12466        2.70822
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73500        1.12250
   24    8  210        2.94716       17.68359        2.94726
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17717        1.39239
   27    9  210        2.64001        7.92241        2.64080
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44768        1.74128
   30   10  210        2.23704       13.42522        2.23754



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.289478E-03 0.291728E+00 0.291725E+00 0.104614E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.111919E+03 0.111920E+03 0.244814E-03 0.569287E-09 0.569261E-09 0.459460E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.394110E-03 0.270086E+00 0.270081E+00 0.156657E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.121079E+03 0.121079E+03 0.486002E-03 0.187793E-08 0.187742E-08 0.275324E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.466618E-03 0.650778E-09 0.650635E-09 0.221113E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.244237E-03 0.467655E-09 0.467662E-09 0.152766E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.411176E-03 0.253863E+00 0.253872E+00 0.353021E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.256627E-03 0.204793E-07 0.204798E-07 0.218091E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.120705E+03 0.120706E+03 0.113086E-02 0.841921E-09 0.842168E-09 0.292382E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.543209E-03 0.651701E-09 0.651832E-09 0.200405E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42641     -9.71320   -264.26770   2.00000
    2    2               -19.42626     -9.71313   -264.26576   2.00000
    3    3               -19.42613     -9.71306   -264.26390   2.00000
    4    4               -19.42608     -9.71304   -264.26333   2.00000
    5    5               -19.42599     -9.71299   -264.26201   2.00000
    6    6               -19.42594     -9.71297   -264.26131   2.00000
    7    7               -19.39449     -9.69725   -263.83358   2.00000
    8    8               -19.39192     -9.69596   -263.79853   2.00000
    9    9               -19.31893     -9.65947   -262.80568   2.00000
   10   10               -19.31892     -9.65946   -262.80546   2.00000
   11   11               -19.31883     -9.65942   -262.80433   2.00000
   12   12               -19.31883     -9.65942   -262.80431   2.00000
   13   13               -19.31882     -9.65941   -262.80420   2.00000
   14   14               -19.31874     -9.65937   -262.80308   2.00000
   15   15               -19.31805     -9.65903   -262.79373   2.00000
   16   16               -19.31798     -9.65899   -262.79273   2.00000
   17   17               -19.31795     -9.65898   -262.79231   2.00000
   18   18               -19.31794     -9.65897   -262.79220   2.00000
   19   19               -19.31793     -9.65897   -262.79210   2.00000
   20   20               -19.31792     -9.65896   -262.79192   2.00000
   21   21               -19.30732     -9.65366   -262.64774   2.00000
   22   22               -19.30731     -9.65366   -262.64759   2.00000
   23   23               -19.30731     -9.65365   -262.64754   2.00000
   24   24               -19.30729     -9.65364   -262.64724   2.00000
   25   25               -19.30725     -9.65363   -262.64680   2.00000
   26   26               -19.30721     -9.65360   -262.64619   2.00000
   27   27               -19.30648     -9.65324   -262.63623   2.00000
   28   28               -19.30638     -9.65319   -262.63486   2.00000
   29   29               -19.30635     -9.65317   -262.63447   2.00000
   30   30               -19.30635     -9.65317   -262.63445   2.00000
   31   31               -19.30632     -9.65316   -262.63414   2.00000
   32   32               -19.30630     -9.65315   -262.63381   2.00000
   33   33               -19.27298     -9.63649   -262.18050   2.00000
   34   34               -19.27280     -9.63640   -262.17813   2.00000
   35   35               -19.27271     -9.63636   -262.17692   2.00000
   36   36               -19.27201     -9.63600   -262.16735   2.00000
   37   37               -19.27190     -9.63595   -262.16581   2.00000
   38   38               -19.27186     -9.63593   -262.16531   2.00000
   39   39                -1.44187     -0.72094    -19.61455   2.00000
   40   40                -1.43082     -0.71541    -19.46421   2.00000
   41   41                -1.31795     -0.65897    -17.92871   2.00000
   42   42                -1.31649     -0.65824    -17.90888   2.00000
   43   43                -1.30780     -0.65390    -17.79075   2.00000
   44   44                -1.30640     -0.65320    -17.77171   2.00000
   45   45                -1.17559     -0.58780    -15.99224   2.00000
   46   46                -1.17486     -0.58743    -15.98218   2.00000
   47   47                -1.16635     -0.58318    -15.86651   2.00000
   48   48                -1.16553     -0.58276    -15.85526   2.00000
   49   49                -1.15648     -0.57824    -15.73228   2.00000
   50   50                -1.14708     -0.57354    -15.60433   2.00000
   51   51                -1.07012     -0.53506    -14.55741   2.00000
   52   52                -1.06121     -0.53061    -14.43625   2.00000
   53   53                -0.95927     -0.47963    -13.04945   2.00000
   54   54                -0.95851     -0.47926    -13.03917   2.00000
   55   55                -0.95277     -0.47638    -12.96104   2.00000
   56   56                -0.95193     -0.47596    -12.94959   2.00000
   57   57                -0.94003     -0.47002    -12.78778   2.00000
   58   58                -0.93254     -0.46627    -12.68587   2.00000
   59   59                -0.85310     -0.42655    -11.60518   2.00000
   60   60                -0.85144     -0.42572    -11.58261   2.00000
   61   61                -0.84759     -0.42379    -11.53018   2.00000
   62   62                -0.84603     -0.42302    -11.50901   2.00000
   63   63                -0.76571     -0.38286    -10.41640   2.00000
   64   64                -0.76003     -0.38002    -10.33915   2.00000
   65   65                -0.69730     -0.34865     -9.48577   2.00000
   66   66                -0.69676     -0.34838     -9.47846   2.00000
   67   67                -0.69241     -0.34621     -9.41928   2.00000
   68   68                -0.69173     -0.34587     -9.41001   2.00000
   69   69                -0.65756     -0.32878     -8.94514   2.00000
   70   70                -0.65342     -0.32671     -8.88880   2.00000
   71   71                -0.62102     -0.31051     -8.44802   2.00000
   72   72                -0.62029     -0.31015     -8.43817   2.00000
   73   73                -0.61758     -0.30879     -8.40133   2.00000
   74   74                -0.61677     -0.30838     -8.39018   2.00000
   75   75                -0.58239     -0.29119     -7.92253   2.00000
   76   76                -0.52813     -0.26407     -7.18448   2.00000
   77   77                -0.52276     -0.26138     -7.11145   2.00000
   78   78                -0.52216     -0.26108     -7.10319   2.00000
   79   79                -0.51904     -0.25952     -7.06076   2.00000
   80   80                -0.51844     -0.25922     -7.05266   2.00000
   81   81                -0.48411     -0.24205     -6.58558   2.00000
   82   82                -0.48114     -0.24057     -6.54523   2.00000
   83   83                -0.44716     -0.22358     -6.08298   2.00000
   84   84                -0.44661     -0.22330     -6.07541   2.00000
   85   85                -0.39878     -0.19939     -5.42480   2.00000
   86   86                -0.39851     -0.19926     -5.42116   2.00000
   87   87                -0.31832     -0.15916     -4.33025   2.00000
   88   88                -0.31678     -0.15839     -4.30936   2.00000
   89   89                -0.30936     -0.15468     -4.20836   2.00000
   90   90                -0.30877     -0.15439     -4.20040   2.00000
   91   91                -0.28802     -0.14401     -3.91806   2.00000
   92   92                -0.26990     -0.13495     -3.67161   2.00000
   93   93                -0.26968     -0.13484     -3.66859   2.00000
   94   94                -0.26754     -0.13377     -3.63950   2.00000
   95   95                -0.26702     -0.13351     -3.63240   2.00000
   96   96                -0.26611     -0.13306     -3.62009   2.00000
   97   97                -0.26598     -0.13299     -3.61827   2.00000
   98   98                -0.24711     -0.12355     -3.36151   2.00000
   99   99                -0.24177     -0.12088     -3.28892   2.00000
  100  100                -0.24115     -0.12058     -3.28054   2.00000
  101  101                -0.24007     -0.12003     -3.26580   2.00000
  102  102                -0.23960     -0.11980     -3.25934   2.00000
  103  103                -0.22442     -0.11221     -3.05292   2.00000
  104  104                -0.22242     -0.11121     -3.02570   2.00000
  105  105                -0.21162     -0.10581     -2.87872   2.00000
  106  106                -0.17357     -0.08678     -2.36112   2.00000
  107  107                -0.11489     -0.05744     -1.56287   2.00000
  108  108                -0.11318     -0.05659     -1.53971   2.00000
  109  109                -0.08402     -0.04201     -1.14303   2.00000
  110  110                -0.08051     -0.04025     -1.09519   2.00000
  111  111                -0.05821     -0.02910     -0.79184   2.00000
  112  112                -0.05723     -0.02861     -0.77851   2.00000
  113  113                -0.05514     -0.02757     -0.75013   2.00000
  114  114                -0.05313     -0.02656     -0.72270   2.00000
  115  115                -0.05266     -0.02633     -0.71639   0.00000
  116  116                -0.05226     -0.02613     -0.71099   0.00000
  117  117                -0.05159     -0.02580     -0.70185   0.00000
  118  118                -0.05115     -0.02558     -0.69585   0.00000
  119  119                -0.03855     -0.01928     -0.52444   0.00000
  120  120                -0.03769     -0.01885     -0.51278   0.00000
  121  121                -0.02796     -0.01398     -0.38029   0.00000
  122  122                -0.02691     -0.01345     -0.36604   0.00000
  123  123                -0.00133     -0.00067     -0.01816   0.00000
  124  124                 0.01217      0.00608      0.16549   0.00000
  125  125                 0.02962      0.01481      0.40294   0.00000
  126  126                 0.03050      0.01525      0.41491   0.00000
  127  127                 0.03849      0.01925      0.52361   0.00000
  128  128                 0.03951      0.01975      0.53741   0.00000
  129  129                 0.13992      0.06996      1.90342   0.00000
  130  130                 0.14075      0.07037      1.91466   0.00000
  131  131                 0.14206      0.07103      1.93258   0.00000
  132  132                 0.14293      0.07147      1.94440   0.00000
  133  133                 0.17062      0.08531      2.32097   0.00000
  134  134                 0.17252      0.08626      2.34684   0.00000
  135  135                 0.21481      0.10740      2.92214   0.00000
  136  136                 0.22707      0.11353      3.08894   0.00000
  137  137                 0.23481      0.11741      3.19427   0.00000
  138  138                 0.24948      0.12474      3.39386   0.00000
  139  139                 0.31271      0.15635      4.25394   0.00000
  140  140                 0.31308      0.15654      4.25906   0.00000
  141  141                 0.32564      0.16282      4.42990   0.00000
  142  142                 0.32600      0.16300      4.43475   0.00000
  143  143                 0.47325      0.23662      6.43787   0.00000
  144  144                 0.47351      0.23675      6.44140   0.00000
  145  145                 0.48598      0.24299      6.61105   0.00000
  146  146                 0.48636      0.24318      6.61621   0.00000
  147  147                 0.63022      0.31511      8.57325   0.00000
  148  148                 0.64061      0.32031      8.71458   0.00000
  149  149                 0.79376      0.39688     10.79793   0.00000
  150  150                 0.79487      0.39744     10.81305   0.00000
  151  151                 0.79648      0.39824     10.83492   0.00000
  152  152                 0.79762      0.39881     10.85044   0.00000
  153  153                 0.83633      0.41817     11.37707   0.00000
  154  154                 0.84143      0.42072     11.44646   0.00000
  155  155                 0.85502      0.42751     11.63128   0.00000
  156  156                 0.85581      0.42790     11.64199   0.00000
  157  157                 0.85634      0.42817     11.64923   0.00000
  158  158                 0.85709      0.42854     11.65945   0.00000
  159  159                 0.95836      0.47918     13.03712   0.00000
  160  160                 0.96177      0.48088     13.08342   0.00000
  161  161                 0.97742      0.48871     13.29633   0.00000
  162  162                 0.97876      0.48938     13.31453   0.00000
  163  163                 0.98006      0.49003     13.33223   0.00000
  164  164                 0.98149      0.49075     13.35175   0.00000
  165  165                 1.01017      0.50509     13.74190   0.00000
  166  166                 1.01372      0.50686     13.79010   0.00000
  167  167                 1.07130      0.53565     14.57351   0.00000
  168  168                 1.07227      0.53614     14.58668   0.00000
  169  169                 1.12973      0.56487     15.36837   0.00000
  170  170                 1.13157      0.56579     15.39337   0.00000
  171  171                 1.13206      0.56603     15.39997   0.00000
  172  172                 1.13377      0.56688     15.42325   0.00000
  173  173                 1.16555      0.58277     15.85556   0.00000
  174  174                 1.16668      0.58334     15.87095   0.00000
  175  175                 1.22766      0.61383     16.70057   0.00000
  176  176                 1.22845      0.61423     16.71132   0.00000
  177  177                 1.22930      0.61465     16.72289   0.00000
  178  178                 1.23073      0.61536     16.74222   0.00000
  179  179                 1.36467      0.68233     18.56428   0.00000
  180  180                 1.36604      0.68302     18.58294   0.00000
  181  181                 1.37307      0.68654     18.67864   0.00000
  182  182                 1.37337      0.68669     18.68274   0.00000
  183  183                 1.37496      0.68748     18.70436   0.00000
  184  184                 1.37539      0.68769     18.71016   0.00000
  185  185                 1.40121      0.70060     19.06138   0.00000
  186  186                 1.40355      0.70178     19.09328   0.00000
  187  187                 1.57574      0.78787     21.43562   0.00000
  188  188                 1.57605      0.78802     21.43979   0.00000
  189  189                 1.57648      0.78824     21.44563   0.00000
  190  190                 1.57807      0.78903     21.46732   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    7    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430401163E+03   -0.2292104366E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99598E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244706932E+02   -0.1300258110E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069859479E-04   -0.9922574948E-11   -0.9187569396E-10


 ***TOTAL****    0.2679818012E-03   -0.2931764834E-10   -0.2714597069E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431863165E+03   -0.2292555359E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370726001E+02   -0.1338860850E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530654988E-04   -0.1042669279E-10   -0.9654345174E-10


 ***TOTAL****    0.2584644541E-03   -0.2827643496E-10   -0.2618188422E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750445E+03   -0.2292212113E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252857574E+02   -0.1302754852E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100119910E-04   -0.9955680356E-11   -0.9218222552E-10


 ***TOTAL****    0.2680386680E-03   -0.2932386966E-10   -0.2715173116E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427196113E+03   -0.2291115660E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98419E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276250493E+02   -0.1309920679E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188860876E-04   -0.1005276443E-10   -0.9308115210E-10


 ***TOTAL****    0.2424620644E-03   -0.2652574730E-10   -0.2456087713E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422747128E+03   -0.2289743219E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314655227E+02   -0.1321684993E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73899E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334022510E-04   -0.1021157363E-10   -0.9455160772E-10


 ***TOTAL****    0.2086204944E-03   -0.2282342407E-10   -0.2113280006E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526672E+03   -0.2292143083E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240646313E+02   -0.1299014243E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056191502E-04   -0.9907621957E-11   -0.9173724034E-10


 ***TOTAL****    0.2680344497E-03   -0.2932340817E-10   -0.2715130386E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431767982E+03   -0.2292525997E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373024233E+02   -0.1339564855E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538461693E-04   -0.1043523345E-10   -0.9662253196E-10


 ***TOTAL****    0.2583177015E-03   -0.2826037999E-10   -0.2616701851E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59717 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698051E+03   -0.2292195950E-03    0.0000000000E+00


              2   E=       -2.21610 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99319E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251647588E+02   -0.1302384204E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095603179E-04   -0.9950738977E-11   -0.9213647201E-10


 ***TOTAL****    0.2680621410E-03   -0.2932643765E-10   -0.2715410893E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280290E+03   -0.2291141627E-03    0.0000000000E+00


              2   E=       -2.23536 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98371E+01   0.58127E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277462877E+02   -0.1310292062E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193312017E-04   -0.1005763405E-10   -0.9312624119E-10


 ***TOTAL****    0.2427048863E-03   -0.2655231241E-10   -0.2458547445E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65678 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759699E+03   -0.2289747097E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314432110E+02   -0.1321616647E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10978E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333139316E-04   -0.1021060740E-10   -0.9454266116E-10


 ***TOTAL****    0.2087864166E-03   -0.2284157622E-10   -0.2114960761E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95473        2.95473
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40269        1.13423
    6    2  210        2.71193        8.13597        2.71199
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73202        1.12200
    9    3  210        2.94544       17.67325        2.94554
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18827        1.39609
   12    4  210        2.63865        7.91817        2.63939
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45783        1.74297
   15    5  210        2.23505       13.41361        2.23560
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95971        2.95971
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39938        1.13313
   21    7  210        2.70817        8.12400        2.70800
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73487        1.12248
   24    8  210        2.94716       17.68298        2.94716
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17599        1.39200
   27    9  210        2.64002        7.91735        2.63912
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44756        1.74126
   30   10  210        2.23704       13.41895        2.23649



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.282021E-03 0.458041E-09 0.458048E-09 0.157068E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.120250E+03 0.120250E+03 0.464144E-03 0.294636E-03 0.294647E-03 0.386342E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.312190E-03 0.203833E-07 0.203837E-07 0.187542E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.120962E+03 0.120963E+03 0.991029E-03 0.846134E-09 0.846361E-09 0.268933E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.548468E-03 0.650777E-09 0.650920E-09 0.218721E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.245892E-03 0.280984E+00 0.280981E+00 0.932242E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.236590E-03 0.562935E-09 0.562911E-09 0.429216E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.334852E-03 0.270139E+00 0.270134E+00 0.170577E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.121182E+03 0.121181E+03 0.620922E-03 0.186900E-08 0.186845E-08 0.297756E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.466618E-03 0.651702E-09 0.651570E-09 0.203127E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42641     -9.71321   -264.26782   2.00000
    2    2               -19.42627     -9.71314   -264.26588   2.00000
    3    3               -19.42614     -9.71307   -264.26402   2.00000
    4    4               -19.42608     -9.71304   -264.26321   2.00000
    5    5               -19.42598     -9.71299   -264.26189   2.00000
    6    6               -19.42593     -9.71296   -264.26119   2.00000
    7    7               -19.39450     -9.69725   -263.83369   2.00000
    8    8               -19.39191     -9.69595   -263.79843   2.00000
    9    9               -19.31894     -9.65947   -262.80582   2.00000
   10   10               -19.31893     -9.65946   -262.80559   2.00000
   11   11               -19.31884     -9.65942   -262.80447   2.00000
   12   12               -19.31884     -9.65942   -262.80444   2.00000
   13   13               -19.31883     -9.65942   -262.80434   2.00000
   14   14               -19.31875     -9.65938   -262.80322   2.00000
   15   15               -19.31804     -9.65902   -262.79360   2.00000
   16   16               -19.31797     -9.65899   -262.79260   2.00000
   17   17               -19.31794     -9.65897   -262.79218   2.00000
   18   18               -19.31793     -9.65897   -262.79206   2.00000
   19   19               -19.31792     -9.65896   -262.79196   2.00000
   20   20               -19.31791     -9.65896   -262.79179   2.00000
   21   21               -19.30733     -9.65367   -262.64789   2.00000
   22   22               -19.30732     -9.65366   -262.64773   2.00000
   23   23               -19.30732     -9.65366   -262.64769   2.00000
   24   24               -19.30730     -9.65365   -262.64739   2.00000
   25   25               -19.30726     -9.65363   -262.64695   2.00000
   26   26               -19.30722     -9.65361   -262.64634   2.00000
   27   27               -19.30647     -9.65323   -262.63609   2.00000
   28   28               -19.30637     -9.65318   -262.63472   2.00000
   29   29               -19.30634     -9.65317   -262.63433   2.00000
   30   30               -19.30634     -9.65317   -262.63431   2.00000
   31   31               -19.30631     -9.65316   -262.63400   2.00000
   32   32               -19.30629     -9.65314   -262.63366   2.00000
   33   33               -19.27296     -9.63648   -262.18028   2.00000
   34   34               -19.27278     -9.63639   -262.17791   2.00000
   35   35               -19.27270     -9.63635   -262.17670   2.00000
   36   36               -19.27202     -9.63601   -262.16756   2.00000
   37   37               -19.27191     -9.63596   -262.16602   2.00000
   38   38               -19.27187     -9.63594   -262.16552   2.00000
   39   39                -1.44187     -0.72094    -19.61455   2.00000
   40   40                -1.43082     -0.71541    -19.46421   2.00000
   41   41                -1.31795     -0.65897    -17.92871   2.00000
   42   42                -1.31649     -0.65824    -17.90887   2.00000
   43   43                -1.30780     -0.65390    -17.79075   2.00000
   44   44                -1.30640     -0.65320    -17.77171   2.00000
   45   45                -1.17559     -0.58780    -15.99223   2.00000
   46   46                -1.17486     -0.58743    -15.98218   2.00000
   47   47                -1.16635     -0.58318    -15.86651   2.00000
   48   48                -1.16553     -0.58276    -15.85526   2.00000
   49   49                -1.15648     -0.57824    -15.73228   2.00000
   50   50                -1.14708     -0.57354    -15.60433   2.00000
   51   51                -1.07012     -0.53506    -14.55741   2.00000
   52   52                -1.06121     -0.53061    -14.43625   2.00000
   53   53                -0.95927     -0.47963    -13.04945   2.00000
   54   54                -0.95851     -0.47926    -13.03918   2.00000
   55   55                -0.95277     -0.47638    -12.96103   2.00000
   56   56                -0.95193     -0.47596    -12.94958   2.00000
   57   57                -0.94003     -0.47002    -12.78776   2.00000
   58   58                -0.93254     -0.46627    -12.68588   2.00000
   59   59                -0.85310     -0.42655    -11.60516   2.00000
   60   60                -0.85144     -0.42572    -11.58260   2.00000
   61   61                -0.84759     -0.42379    -11.53020   2.00000
   62   62                -0.84603     -0.42302    -11.50901   2.00000
   63   63                -0.76571     -0.38286    -10.41641   2.00000
   64   64                -0.76003     -0.38002    -10.33914   2.00000
   65   65                -0.69730     -0.34865     -9.48578   2.00000
   66   66                -0.69677     -0.34838     -9.47848   2.00000
   67   67                -0.69241     -0.34621     -9.41927   2.00000
   68   68                -0.69173     -0.34587     -9.40998   2.00000
   69   69                -0.65756     -0.32878     -8.94518   2.00000
   70   70                -0.65342     -0.32671     -8.88876   2.00000
   71   71                -0.62102     -0.31051     -8.44802   2.00000
   72   72                -0.62029     -0.31015     -8.43814   2.00000
   73   73                -0.61758     -0.30879     -8.40131   2.00000
   74   74                -0.61677     -0.30838     -8.39021   2.00000
   75   75                -0.58239     -0.29119     -7.92253   2.00000
   76   76                -0.52813     -0.26407     -7.18448   2.00000
   77   77                -0.52276     -0.26138     -7.11143   2.00000
   78   78                -0.52216     -0.26108     -7.10321   2.00000
   79   79                -0.51904     -0.25952     -7.06077   2.00000
   80   80                -0.51844     -0.25922     -7.05264   2.00000
   81   81                -0.48411     -0.24205     -6.58560   2.00000
   82   82                -0.48114     -0.24057     -6.54521   2.00000
   83   83                -0.44716     -0.22358     -6.08297   2.00000
   84   84                -0.44661     -0.22330     -6.07541   2.00000
   85   85                -0.39878     -0.19939     -5.42480   2.00000
   86   86                -0.39851     -0.19926     -5.42116   2.00000
   87   87                -0.31832     -0.15916     -4.33021   2.00000
   88   88                -0.31679     -0.15839     -4.30940   2.00000
   89   89                -0.30936     -0.15468     -4.20836   2.00000
   90   90                -0.30877     -0.15439     -4.20040   2.00000
   91   91                -0.28802     -0.14401     -3.91806   2.00000
   92   92                -0.26990     -0.13495     -3.67161   2.00000
   93   93                -0.26968     -0.13484     -3.66859   2.00000
   94   94                -0.26754     -0.13377     -3.63943   2.00000
   95   95                -0.26702     -0.13351     -3.63243   2.00000
   96   96                -0.26612     -0.13306     -3.62017   2.00000
   97   97                -0.26598     -0.13299     -3.61825   2.00000
   98   98                -0.24711     -0.12355     -3.36150   2.00000
   99   99                -0.24177     -0.12088     -3.28887   2.00000
  100  100                -0.24115     -0.12058     -3.28055   2.00000
  101  101                -0.24007     -0.12004     -3.26584   2.00000
  102  102                -0.23960     -0.11980     -3.25934   2.00000
  103  103                -0.22442     -0.11221     -3.05292   2.00000
  104  104                -0.22242     -0.11121     -3.02571   2.00000
  105  105                -0.21162     -0.10581     -2.87872   2.00000
  106  106                -0.17357     -0.08678     -2.36112   2.00000
  107  107                -0.11489     -0.05745     -1.56292   2.00000
  108  108                -0.11318     -0.05659     -1.53966   2.00000
  109  109                -0.08403     -0.04201     -1.14305   2.00000
  110  110                -0.08051     -0.04025     -1.09517   2.00000
  111  111                -0.05821     -0.02911     -0.79192   2.00000
  112  112                -0.05723     -0.02861     -0.77850   2.00000
  113  113                -0.05514     -0.02757     -0.75012   2.00000
  114  114                -0.05312     -0.02656     -0.72266   2.00000
  115  115                -0.05266     -0.02633     -0.71638   0.00000
  116  116                -0.05226     -0.02613     -0.71092   0.00000
  117  117                -0.05160     -0.02580     -0.70189   0.00000
  118  118                -0.05116     -0.02558     -0.69589   0.00000
  119  119                -0.03855     -0.01928     -0.52444   0.00000
  120  120                -0.03770     -0.01885     -0.51280   0.00000
  121  121                -0.02795     -0.01398     -0.38028   0.00000
  122  122                -0.02691     -0.01345     -0.36603   0.00000
  123  123                -0.00134     -0.00067     -0.01816   0.00000
  124  124                 0.01217      0.00608      0.16550   0.00000
  125  125                 0.02962      0.01481      0.40293   0.00000
  126  126                 0.03050      0.01525      0.41490   0.00000
  127  127                 0.03849      0.01925      0.52362   0.00000
  128  128                 0.03951      0.01975      0.53742   0.00000
  129  129                 0.13992      0.06996      1.90336   0.00000
  130  130                 0.14075      0.07038      1.91470   0.00000
  131  131                 0.14206      0.07103      1.93252   0.00000
  132  132                 0.14294      0.07147      1.94447   0.00000
  133  133                 0.17061      0.08531      2.32093   0.00000
  134  134                 0.17252      0.08626      2.34688   0.00000
  135  135                 0.21481      0.10740      2.92213   0.00000
  136  136                 0.22707      0.11353      3.08894   0.00000
  137  137                 0.23481      0.11741      3.19426   0.00000
  138  138                 0.24948      0.12474      3.39387   0.00000
  139  139                 0.31271      0.15635      4.25393   0.00000
  140  140                 0.31308      0.15654      4.25905   0.00000
  141  141                 0.32564      0.16282      4.42990   0.00000
  142  142                 0.32600      0.16300      4.43475   0.00000
  143  143                 0.47325      0.23662      6.43787   0.00000
  144  144                 0.47351      0.23675      6.44139   0.00000
  145  145                 0.48598      0.24299      6.61104   0.00000
  146  146                 0.48636      0.24318      6.61622   0.00000
  147  147                 0.63022      0.31511      8.57324   0.00000
  148  148                 0.64061      0.32031      8.71458   0.00000
  149  149                 0.79376      0.39688     10.79787   0.00000
  150  150                 0.79487      0.39743     10.81303   0.00000
  151  151                 0.79648      0.39824     10.83496   0.00000
  152  152                 0.79762      0.39881     10.85046   0.00000
  153  153                 0.83633      0.41816     11.37702   0.00000
  154  154                 0.84144      0.42072     11.44651   0.00000
  155  155                 0.85503      0.42751     11.63142   0.00000
  156  156                 0.85580      0.42790     11.64185   0.00000
  157  157                 0.85633      0.42816     11.64909   0.00000
  158  158                 0.85710      0.42855     11.65958   0.00000
  159  159                 0.95836      0.47918     13.03703   0.00000
  160  160                 0.96177      0.48089     13.08350   0.00000
  161  161                 0.97741      0.48870     13.29621   0.00000
  162  162                 0.97875      0.48938     13.31449   0.00000
  163  163                 0.98006      0.49003     13.33225   0.00000
  164  164                 0.98150      0.49075     13.35187   0.00000
  165  165                 1.01017      0.50508     13.74187   0.00000
  166  166                 1.01372      0.50686     13.79013   0.00000
  167  167                 1.07129      0.53565     14.57337   0.00000
  168  168                 1.07228      0.53614     14.58681   0.00000
  169  169                 1.12973      0.56486     15.36827   0.00000
  170  170                 1.13158      0.56579     15.39345   0.00000
  171  171                 1.13205      0.56603     15.39988   0.00000
  172  172                 1.13377      0.56689     15.42332   0.00000
  173  173                 1.16556      0.58278     15.85571   0.00000
  174  174                 1.16667      0.58333     15.87080   0.00000
  175  175                 1.22765      0.61383     16.70043   0.00000
  176  176                 1.22845      0.61423     16.71127   0.00000
  177  177                 1.22931      0.61465     16.72291   0.00000
  178  178                 1.23074      0.61537     16.74234   0.00000
  179  179                 1.36468      0.68234     18.56440   0.00000
  180  180                 1.36603      0.68301     18.58279   0.00000
  181  181                 1.37307      0.68654     18.67866   0.00000
  182  182                 1.37337      0.68669     18.68270   0.00000
  183  183                 1.37497      0.68749     18.70445   0.00000
  184  184                 1.37538      0.68769     18.71004   0.00000
  185  185                 1.40120      0.70060     19.06126   0.00000
  186  186                 1.40356      0.70178     19.09337   0.00000
  187  187                 1.57573      0.78786     21.43546   0.00000
  188  188                 1.57603      0.78802     21.43964   0.00000
  189  189                 1.57648      0.78824     21.44576   0.00000
  190  190                 1.57808      0.78904     21.46745   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    6    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430400895E+03   -0.2292104283E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99599E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244704346E+02   -0.1300257318E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069849852E-04   -0.9922564415E-11   -0.9187559644E-10


 ***TOTAL****    0.2679815849E-03   -0.2931762467E-10   -0.2714594877E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431861885E+03   -0.2292554964E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370725005E+02   -0.1338860545E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530650999E-04   -0.1042668842E-10   -0.9654341133E-10


 ***TOTAL****    0.2584643954E-03   -0.2827642855E-10   -0.2618187828E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430749988E+03   -0.2292211972E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252853214E+02   -0.1302753517E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100103623E-04   -0.9955662537E-11   -0.9218206053E-10


 ***TOTAL****    0.2680382658E-03   -0.2932382566E-10   -0.2715169042E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427195890E+03   -0.2291115590E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98420E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276244396E+02   -0.1309918811E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188837181E-04   -0.1005273850E-10   -0.9308091208E-10


 ***TOTAL****    0.2424620133E-03   -0.2652574172E-10   -0.2456087196E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422746993E+03   -0.2289743178E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314651391E+02   -0.1321683818E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73900E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334007499E-04   -0.1021155721E-10   -0.9455145567E-10


 ***TOTAL****    0.2086205919E-03   -0.2282343473E-10   -0.2113280994E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526915E+03   -0.2292143158E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240648528E+02   -0.1299014921E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056199877E-04   -0.9907631119E-11   -0.9173732518E-10


 ***TOTAL****    0.2680347217E-03   -0.2932343793E-10   -0.2715133142E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431769108E+03   -0.2292526344E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373025089E+02   -0.1339565117E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538464982E-04   -0.1043523705E-10   -0.9662256528E-10


 ***TOTAL****    0.2583176528E-03   -0.2826037466E-10   -0.2616701358E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59718 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698583E+03   -0.2292196114E-03    0.0000000000E+00


              2   E=       -2.21611 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99318E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251652508E+02   -0.1302385711E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095604929E-04   -0.9950740892E-11   -0.9213648974E-10


 ***TOTAL****    0.2680621934E-03   -0.2932644338E-10   -0.2715411424E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280523E+03   -0.2291141698E-03    0.0000000000E+00


              2   E=       -2.23537 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98370E+01   0.58126E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277469669E+02   -0.1310294142E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193338331E-04   -0.1005766284E-10   -0.9312650774E-10


 ***TOTAL****    0.2427048803E-03   -0.2655231176E-10   -0.2458547385E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65679 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759805E+03   -0.2289747130E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314435638E+02   -0.1321617727E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10977E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333153037E-04   -0.1021062242E-10   -0.9454280015E-10


 ***TOTAL****    0.2087862865E-03   -0.2284156199E-10   -0.2114959444E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95466        2.95466
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40250        1.13417
    6    2  210        2.71193        8.13526        2.71175
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73189        1.12198
    9    3  210        2.94544       17.67272        2.94545
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18732        1.39577
   12    4  210        2.63866        7.91349        2.63783
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45769        1.74295
   15    5  210        2.23506       13.40676        2.23446
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95977        2.95977
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39951        1.13317
   21    7  210        2.70817        8.12466        2.70822
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73500        1.12250
   24    8  210        2.94716       17.68359        2.94727
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17717        1.39239
   27    9  210        2.64001        7.92242        2.64081
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44768        1.74128
   30   10  210        2.23704       13.42522        2.23754



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.284183E-03 0.291728E+00 0.291725E+00 0.104018E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.111919E+03 0.111920E+03 0.237976E-03 0.569287E-09 0.569261E-09 0.459422E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.387627E-03 0.270086E+00 0.270082E+00 0.155596E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.121079E+03 0.121079E+03 0.485838E-03 0.187793E-08 0.187742E-08 0.275126E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.457513E-03 0.650778E-09 0.650634E-09 0.222294E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.239677E-03 0.467655E-09 0.467662E-09 0.151877E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.405053E-03 0.253863E+00 0.253872E+00 0.352419E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.250920E-03 0.204793E-07 0.204798E-07 0.217760E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.120705E+03 0.120706E+03 0.112577E-02 0.841921E-09 0.842169E-09 0.293398E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.534421E-03 0.651701E-09 0.651832E-09 0.200172E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42641     -9.71320   -264.26770   2.00000
    2    2               -19.42626     -9.71313   -264.26576   2.00000
    3    3               -19.42613     -9.71306   -264.26390   2.00000
    4    4               -19.42608     -9.71304   -264.26333   2.00000
    5    5               -19.42599     -9.71299   -264.26201   2.00000
    6    6               -19.42594     -9.71297   -264.26131   2.00000
    7    7               -19.39449     -9.69725   -263.83359   2.00000
    8    8               -19.39192     -9.69596   -263.79854   2.00000
    9    9               -19.31893     -9.65947   -262.80569   2.00000
   10   10               -19.31892     -9.65946   -262.80547   2.00000
   11   11               -19.31883     -9.65942   -262.80434   2.00000
   12   12               -19.31883     -9.65942   -262.80431   2.00000
   13   13               -19.31882     -9.65941   -262.80421   2.00000
   14   14               -19.31874     -9.65937   -262.80309   2.00000
   15   15               -19.31805     -9.65903   -262.79374   2.00000
   16   16               -19.31798     -9.65899   -262.79274   2.00000
   17   17               -19.31795     -9.65898   -262.79232   2.00000
   18   18               -19.31794     -9.65897   -262.79220   2.00000
   19   19               -19.31793     -9.65897   -262.79210   2.00000
   20   20               -19.31792     -9.65896   -262.79193   2.00000
   21   21               -19.30732     -9.65366   -262.64774   2.00000
   22   22               -19.30731     -9.65366   -262.64759   2.00000
   23   23               -19.30731     -9.65365   -262.64754   2.00000
   24   24               -19.30729     -9.65364   -262.64724   2.00000
   25   25               -19.30725     -9.65363   -262.64680   2.00000
   26   26               -19.30721     -9.65360   -262.64619   2.00000
   27   27               -19.30648     -9.65324   -262.63623   2.00000
   28   28               -19.30638     -9.65319   -262.63487   2.00000
   29   29               -19.30635     -9.65317   -262.63447   2.00000
   30   30               -19.30635     -9.65317   -262.63446   2.00000
   31   31               -19.30632     -9.65316   -262.63414   2.00000
   32   32               -19.30630     -9.65315   -262.63381   2.00000
   33   33               -19.27298     -9.63649   -262.18051   2.00000
   34   34               -19.27280     -9.63640   -262.17813   2.00000
   35   35               -19.27271     -9.63636   -262.17692   2.00000
   36   36               -19.27201     -9.63600   -262.16735   2.00000
   37   37               -19.27190     -9.63595   -262.16581   2.00000
   38   38               -19.27186     -9.63593   -262.16532   2.00000
   39   39                -1.44187     -0.72094    -19.61456   2.00000
   40   40                -1.43082     -0.71541    -19.46422   2.00000
   41   41                -1.31795     -0.65897    -17.92872   2.00000
   42   42                -1.31649     -0.65824    -17.90888   2.00000
   43   43                -1.30780     -0.65390    -17.79075   2.00000
   44   44                -1.30640     -0.65320    -17.77171   2.00000
   45   45                -1.17560     -0.58780    -15.99224   2.00000
   46   46                -1.17486     -0.58743    -15.98218   2.00000
   47   47                -1.16635     -0.58318    -15.86651   2.00000
   48   48                -1.16553     -0.58276    -15.85527   2.00000
   49   49                -1.15649     -0.57824    -15.73228   2.00000
   50   50                -1.14708     -0.57354    -15.60433   2.00000
   51   51                -1.07012     -0.53506    -14.55741   2.00000
   52   52                -1.06121     -0.53061    -14.43625   2.00000
   53   53                -0.95927     -0.47963    -13.04945   2.00000
   54   54                -0.95851     -0.47926    -13.03918   2.00000
   55   55                -0.95277     -0.47639    -12.96104   2.00000
   56   56                -0.95193     -0.47596    -12.94959   2.00000
   57   57                -0.94003     -0.47002    -12.78778   2.00000
   58   58                -0.93254     -0.46627    -12.68587   2.00000
   59   59                -0.85310     -0.42655    -11.60518   2.00000
   60   60                -0.85144     -0.42572    -11.58261   2.00000
   61   61                -0.84759     -0.42379    -11.53019   2.00000
   62   62                -0.84603     -0.42302    -11.50902   2.00000
   63   63                -0.76571     -0.38286    -10.41641   2.00000
   64   64                -0.76003     -0.38002    -10.33915   2.00000
   65   65                -0.69730     -0.34865     -9.48577   2.00000
   66   66                -0.69676     -0.34838     -9.47846   2.00000
   67   67                -0.69241     -0.34621     -9.41928   2.00000
   68   68                -0.69173     -0.34587     -9.41002   2.00000
   69   69                -0.65756     -0.32878     -8.94514   2.00000
   70   70                -0.65342     -0.32671     -8.88881   2.00000
   71   71                -0.62102     -0.31051     -8.44802   2.00000
   72   72                -0.62029     -0.31015     -8.43817   2.00000
   73   73                -0.61758     -0.30879     -8.40133   2.00000
   74   74                -0.61677     -0.30838     -8.39019   2.00000
   75   75                -0.58239     -0.29119     -7.92253   2.00000
   76   76                -0.52813     -0.26407     -7.18449   2.00000
   77   77                -0.52277     -0.26138     -7.11145   2.00000
   78   78                -0.52216     -0.26108     -7.10320   2.00000
   79   79                -0.51904     -0.25952     -7.06076   2.00000
   80   80                -0.51844     -0.25922     -7.05266   2.00000
   81   81                -0.48411     -0.24205     -6.58558   2.00000
   82   82                -0.48114     -0.24057     -6.54523   2.00000
   83   83                -0.44716     -0.22358     -6.08298   2.00000
   84   84                -0.44661     -0.22330     -6.07542   2.00000
   85   85                -0.39878     -0.19939     -5.42481   2.00000
   86   86                -0.39851     -0.19926     -5.42117   2.00000
   87   87                -0.31832     -0.15916     -4.33025   2.00000
   88   88                -0.31678     -0.15839     -4.30937   2.00000
   89   89                -0.30936     -0.15468     -4.20837   2.00000
   90   90                -0.30877     -0.15439     -4.20041   2.00000
   91   91                -0.28802     -0.14401     -3.91806   2.00000
   92   92                -0.26990     -0.13495     -3.67161   2.00000
   93   93                -0.26968     -0.13484     -3.66860   2.00000
   94   94                -0.26754     -0.13377     -3.63951   2.00000
   95   95                -0.26702     -0.13351     -3.63241   2.00000
   96   96                -0.26611     -0.13306     -3.62010   2.00000
   97   97                -0.26598     -0.13299     -3.61828   2.00000
   98   98                -0.24711     -0.12355     -3.36151   2.00000
   99   99                -0.24177     -0.12088     -3.28892   2.00000
  100  100                -0.24115     -0.12058     -3.28055   2.00000
  101  101                -0.24007     -0.12004     -3.26580   2.00000
  102  102                -0.23960     -0.11980     -3.25935   2.00000
  103  103                -0.22442     -0.11221     -3.05293   2.00000
  104  104                -0.22242     -0.11121     -3.02571   2.00000
  105  105                -0.21162     -0.10581     -2.87872   2.00000
  106  106                -0.17357     -0.08678     -2.36113   2.00000
  107  107                -0.11489     -0.05744     -1.56288   2.00000
  108  108                -0.11318     -0.05659     -1.53971   2.00000
  109  109                -0.08402     -0.04201     -1.14303   2.00000
  110  110                -0.08051     -0.04025     -1.09519   2.00000
  111  111                -0.05821     -0.02910     -0.79184   2.00000
  112  112                -0.05723     -0.02861     -0.77851   2.00000
  113  113                -0.05514     -0.02757     -0.75014   2.00000
  114  114                -0.05313     -0.02656     -0.72271   2.00000
  115  115                -0.05266     -0.02633     -0.71639   0.00000
  116  116                -0.05227     -0.02613     -0.71099   0.00000
  117  117                -0.05159     -0.02580     -0.70185   0.00000
  118  118                -0.05115     -0.02558     -0.69585   0.00000
  119  119                -0.03855     -0.01928     -0.52444   0.00000
  120  120                -0.03770     -0.01885     -0.51279   0.00000
  121  121                -0.02796     -0.01398     -0.38029   0.00000
  122  122                -0.02691     -0.01345     -0.36605   0.00000
  123  123                -0.00133     -0.00067     -0.01816   0.00000
  124  124                 0.01217      0.00608      0.16549   0.00000
  125  125                 0.02962      0.01481      0.40294   0.00000
  126  126                 0.03050      0.01525      0.41490   0.00000
  127  127                 0.03849      0.01925      0.52361   0.00000
  128  128                 0.03950      0.01975      0.53741   0.00000
  129  129                 0.13992      0.06996      1.90342   0.00000
  130  130                 0.14075      0.07037      1.91465   0.00000
  131  131                 0.14206      0.07103      1.93258   0.00000
  132  132                 0.14293      0.07147      1.94440   0.00000
  133  133                 0.17062      0.08531      2.32097   0.00000
  134  134                 0.17252      0.08626      2.34684   0.00000
  135  135                 0.21481      0.10740      2.92214   0.00000
  136  136                 0.22707      0.11353      3.08893   0.00000
  137  137                 0.23481      0.11741      3.19427   0.00000
  138  138                 0.24948      0.12474      3.39386   0.00000
  139  139                 0.31271      0.15635      4.25393   0.00000
  140  140                 0.31308      0.15654      4.25905   0.00000
  141  141                 0.32564      0.16282      4.42989   0.00000
  142  142                 0.32600      0.16300      4.43475   0.00000
  143  143                 0.47325      0.23662      6.43787   0.00000
  144  144                 0.47351      0.23675      6.44140   0.00000
  145  145                 0.48598      0.24299      6.61105   0.00000
  146  146                 0.48636      0.24318      6.61621   0.00000
  147  147                 0.63022      0.31511      8.57325   0.00000
  148  148                 0.64061      0.32031      8.71458   0.00000
  149  149                 0.79376      0.39688     10.79792   0.00000
  150  150                 0.79487      0.39744     10.81305   0.00000
  151  151                 0.79648      0.39824     10.83492   0.00000
  152  152                 0.79762      0.39881     10.85043   0.00000
  153  153                 0.83633      0.41817     11.37706   0.00000
  154  154                 0.84143      0.42072     11.44646   0.00000
  155  155                 0.85502      0.42751     11.63128   0.00000
  156  156                 0.85581      0.42790     11.64199   0.00000
  157  157                 0.85634      0.42817     11.64922   0.00000
  158  158                 0.85709      0.42854     11.65944   0.00000
  159  159                 0.95836      0.47918     13.03712   0.00000
  160  160                 0.96177      0.48088     13.08341   0.00000
  161  161                 0.97742      0.48871     13.29633   0.00000
  162  162                 0.97876      0.48938     13.31452   0.00000
  163  163                 0.98006      0.49003     13.33222   0.00000
  164  164                 0.98149      0.49075     13.35175   0.00000
  165  165                 1.01017      0.50509     13.74190   0.00000
  166  166                 1.01371      0.50686     13.79010   0.00000
  167  167                 1.07130      0.53565     14.57351   0.00000
  168  168                 1.07227      0.53614     14.58668   0.00000
  169  169                 1.12973      0.56487     15.36837   0.00000
  170  170                 1.13157      0.56579     15.39337   0.00000
  171  171                 1.13206      0.56603     15.39996   0.00000
  172  172                 1.13377      0.56688     15.42324   0.00000
  173  173                 1.16555      0.58277     15.85556   0.00000
  174  174                 1.16668      0.58334     15.87095   0.00000
  175  175                 1.22766      0.61383     16.70056   0.00000
  176  176                 1.22845      0.61423     16.71131   0.00000
  177  177                 1.22930      0.61465     16.72288   0.00000
  178  178                 1.23073      0.61536     16.74222   0.00000
  179  179                 1.36467      0.68233     18.56427   0.00000
  180  180                 1.36604      0.68302     18.58293   0.00000
  181  181                 1.37307      0.68654     18.67864   0.00000
  182  182                 1.37337      0.68669     18.68274   0.00000
  183  183                 1.37496      0.68748     18.70436   0.00000
  184  184                 1.37539      0.68769     18.71015   0.00000
  185  185                 1.40121      0.70060     19.06137   0.00000
  186  186                 1.40355      0.70178     19.09327   0.00000
  187  187                 1.57574      0.78787     21.43561   0.00000
  188  188                 1.57605      0.78802     21.43979   0.00000
  189  189                 1.57648      0.78824     21.44563   0.00000
  190  190                 1.57807      0.78903     21.46731   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    5    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430401183E+03   -0.2292104372E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99598E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244706979E+02   -0.1300258125E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069859794E-04   -0.9922575293E-11   -0.9187569716E-10


 ***TOTAL****    0.2679818958E-03   -0.2931765869E-10   -0.2714598027E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431863142E+03   -0.2292555352E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370725960E+02   -0.1338860837E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530654676E-04   -0.1042669245E-10   -0.9654344858E-10


 ***TOTAL****    0.2584643534E-03   -0.2827642395E-10   -0.2618187402E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750466E+03   -0.2292212119E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252857616E+02   -0.1302754865E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100120220E-04   -0.9955680694E-11   -0.9218222865E-10


 ***TOTAL****    0.2680387633E-03   -0.2932388009E-10   -0.2715174082E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427196096E+03   -0.2291115654E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98419E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276250542E+02   -0.1309920694E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188860982E-04   -0.1005276454E-10   -0.9308115318E-10


 ***TOTAL****    0.2424619950E-03   -0.2652573971E-10   -0.2456087010E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422747111E+03   -0.2289743214E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314655234E+02   -0.1321684995E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73899E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334022451E-04   -0.1021157357E-10   -0.9455160712E-10


 ***TOTAL****    0.2086204517E-03   -0.2282341940E-10   -0.2113279574E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526690E+03   -0.2292143089E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240646354E+02   -0.1299014255E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056191797E-04   -0.9907622280E-11   -0.9173724333E-10


 ***TOTAL****    0.2680345489E-03   -0.2932341903E-10   -0.2715131392E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431767959E+03   -0.2292525989E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373024192E+02   -0.1339564842E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538461388E-04   -0.1043523312E-10   -0.9662252886E-10


 ***TOTAL****    0.2583175979E-03   -0.2826036866E-10   -0.2616700802E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59717 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698075E+03   -0.2292195958E-03    0.0000000000E+00


              2   E=       -2.21610 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99319E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251647631E+02   -0.1302384217E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095603551E-04   -0.9950739385E-11   -0.9213647578E-10


 ***TOTAL****    0.2680622326E-03   -0.2932644767E-10   -0.2715411821E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280272E+03   -0.2291141621E-03    0.0000000000E+00


              2   E=       -2.23536 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98371E+01   0.58127E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277462884E+02   -0.1310292064E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193311970E-04   -0.1005763400E-10   -0.9312624071E-10


 ***TOTAL****    0.2427048055E-03   -0.2655230357E-10   -0.2458546627E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65678 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759681E+03   -0.2289747092E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314432146E+02   -0.1321616658E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10978E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333139376E-04   -0.1021060747E-10   -0.9454266177E-10


 ***TOTAL****    0.2087863749E-03   -0.2284157166E-10   -0.2114960339E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95473        2.95473
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40269        1.13423
    6    2  210        2.71193        8.13597        2.71199
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73202        1.12200
    9    3  210        2.94544       17.67325        2.94554
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18827        1.39609
   12    4  210        2.63865        7.91817        2.63939
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45783        1.74297
   15    5  210        2.23505       13.41361        2.23560
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95971        2.95971
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39938        1.13313
   21    7  210        2.70817        8.12400        2.70800
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73487        1.12248
   24    8  210        2.94716       17.68298        2.94716
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17599        1.39200
   27    9  210        2.64001        7.91734        2.63911
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44756        1.74126
   30   10  210        2.23704       13.41895        2.23649



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.276765E-03 0.458041E-09 0.458048E-09 0.156483E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.120250E+03 0.120250E+03 0.457902E-03 0.294636E-03 0.294647E-03 0.387164E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.305689E-03 0.203833E-07 0.203837E-07 0.187222E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.120962E+03 0.120963E+03 0.984278E-03 0.846133E-09 0.846362E-09 0.269539E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.539701E-03 0.650777E-09 0.650920E-09 0.218753E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.241355E-03 0.280984E+00 0.280981E+00 0.923153E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.230526E-03 0.562935E-09 0.562911E-09 0.430214E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.329484E-03 0.270139E+00 0.270134E+00 0.170069E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.121182E+03 0.121181E+03 0.623756E-03 0.186900E-08 0.186844E-08 0.298812E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.457922E-03 0.651702E-09 0.651570E-09 0.203276E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42642     -9.71321   -264.26782   2.00000
    2    2               -19.42627     -9.71314   -264.26588   2.00000
    3    3               -19.42614     -9.71307   -264.26402   2.00000
    4    4               -19.42608     -9.71304   -264.26321   2.00000
    5    5               -19.42598     -9.71299   -264.26189   2.00000
    6    6               -19.42593     -9.71296   -264.26119   2.00000
    7    7               -19.39450     -9.69725   -263.83370   2.00000
    8    8               -19.39191     -9.69596   -263.79843   2.00000
    9    9               -19.31894     -9.65947   -262.80582   2.00000
   10   10               -19.31893     -9.65946   -262.80560   2.00000
   11   11               -19.31884     -9.65942   -262.80448   2.00000
   12   12               -19.31884     -9.65942   -262.80445   2.00000
   13   13               -19.31883     -9.65942   -262.80435   2.00000
   14   14               -19.31875     -9.65938   -262.80323   2.00000
   15   15               -19.31804     -9.65902   -262.79360   2.00000
   16   16               -19.31797     -9.65899   -262.79260   2.00000
   17   17               -19.31794     -9.65897   -262.79219   2.00000
   18   18               -19.31793     -9.65897   -262.79207   2.00000
   19   19               -19.31792     -9.65896   -262.79197   2.00000
   20   20               -19.31791     -9.65896   -262.79179   2.00000
   21   21               -19.30733     -9.65367   -262.64789   2.00000
   22   22               -19.30732     -9.65366   -262.64774   2.00000
   23   23               -19.30732     -9.65366   -262.64769   2.00000
   24   24               -19.30730     -9.65365   -262.64739   2.00000
   25   25               -19.30726     -9.65363   -262.64695   2.00000
   26   26               -19.30722     -9.65361   -262.64634   2.00000
   27   27               -19.30647     -9.65323   -262.63609   2.00000
   28   28               -19.30637     -9.65318   -262.63473   2.00000
   29   29               -19.30634     -9.65317   -262.63433   2.00000
   30   30               -19.30634     -9.65317   -262.63432   2.00000
   31   31               -19.30631     -9.65316   -262.63400   2.00000
   32   32               -19.30629     -9.65314   -262.63367   2.00000
   33   33               -19.27296     -9.63648   -262.18028   2.00000
   34   34               -19.27278     -9.63639   -262.17791   2.00000
   35   35               -19.27270     -9.63635   -262.17670   2.00000
   36   36               -19.27202     -9.63601   -262.16756   2.00000
   37   37               -19.27191     -9.63596   -262.16602   2.00000
   38   38               -19.27187     -9.63594   -262.16553   2.00000
   39   39                -1.44187     -0.72094    -19.61456   2.00000
   40   40                -1.43082     -0.71541    -19.46421   2.00000
   41   41                -1.31795     -0.65897    -17.92872   2.00000
   42   42                -1.31649     -0.65824    -17.90888   2.00000
   43   43                -1.30780     -0.65390    -17.79075   2.00000
   44   44                -1.30640     -0.65320    -17.77172   2.00000
   45   45                -1.17559     -0.58780    -15.99224   2.00000
   46   46                -1.17486     -0.58743    -15.98218   2.00000
   47   47                -1.16635     -0.58318    -15.86652   2.00000
   48   48                -1.16553     -0.58276    -15.85527   2.00000
   49   49                -1.15649     -0.57824    -15.73228   2.00000
   50   50                -1.14708     -0.57354    -15.60433   2.00000
   51   51                -1.07012     -0.53506    -14.55741   2.00000
   52   52                -1.06121     -0.53061    -14.43625   2.00000
   53   53                -0.95927     -0.47963    -13.04946   2.00000
   54   54                -0.95851     -0.47926    -13.03919   2.00000
   55   55                -0.95277     -0.47639    -12.96104   2.00000
   56   56                -0.95193     -0.47596    -12.94958   2.00000
   57   57                -0.94003     -0.47002    -12.78776   2.00000
   58   58                -0.93254     -0.46627    -12.68589   2.00000
   59   59                -0.85310     -0.42655    -11.60516   2.00000
   60   60                -0.85144     -0.42572    -11.58261   2.00000
   61   61                -0.84759     -0.42379    -11.53021   2.00000
   62   62                -0.84603     -0.42302    -11.50902   2.00000
   63   63                -0.76571     -0.38286    -10.41641   2.00000
   64   64                -0.76003     -0.38002    -10.33915   2.00000
   65   65                -0.69730     -0.34865     -9.48579   2.00000
   66   66                -0.69677     -0.34838     -9.47849   2.00000
   67   67                -0.69241     -0.34621     -9.41927   2.00000
   68   68                -0.69173     -0.34587     -9.40998   2.00000
   69   69                -0.65756     -0.32878     -8.94518   2.00000
   70   70                -0.65342     -0.32671     -8.88877   2.00000
   71   71                -0.62102     -0.31051     -8.44803   2.00000
   72   72                -0.62029     -0.31015     -8.43814   2.00000
   73   73                -0.61758     -0.30879     -8.40132   2.00000
   74   74                -0.61677     -0.30838     -8.39022   2.00000
   75   75                -0.58239     -0.29119     -7.92253   2.00000
   76   76                -0.52813     -0.26407     -7.18449   2.00000
   77   77                -0.52276     -0.26138     -7.11144   2.00000
   78   78                -0.52216     -0.26108     -7.10322   2.00000
   79   79                -0.51904     -0.25952     -7.06078   2.00000
   80   80                -0.51844     -0.25922     -7.05264   2.00000
   81   81                -0.48411     -0.24205     -6.58560   2.00000
   82   82                -0.48114     -0.24057     -6.54521   2.00000
   83   83                -0.44716     -0.22358     -6.08298   2.00000
   84   84                -0.44661     -0.22330     -6.07541   2.00000
   85   85                -0.39878     -0.19939     -5.42480   2.00000
   86   86                -0.39851     -0.19926     -5.42117   2.00000
   87   87                -0.31832     -0.15916     -4.33022   2.00000
   88   88                -0.31679     -0.15839     -4.30941   2.00000
   89   89                -0.30936     -0.15468     -4.20836   2.00000
   90   90                -0.30877     -0.15439     -4.20040   2.00000
   91   91                -0.28802     -0.14401     -3.91807   2.00000
   92   92                -0.26990     -0.13495     -3.67161   2.00000
   93   93                -0.26968     -0.13484     -3.66860   2.00000
   94   94                -0.26754     -0.13377     -3.63943   2.00000
   95   95                -0.26702     -0.13351     -3.63244   2.00000
   96   96                -0.26612     -0.13306     -3.62018   2.00000
   97   97                -0.26598     -0.13299     -3.61826   2.00000
   98   98                -0.24711     -0.12355     -3.36151   2.00000
   99   99                -0.24177     -0.12088     -3.28888   2.00000
  100  100                -0.24115     -0.12058     -3.28056   2.00000
  101  101                -0.24007     -0.12004     -3.26585   2.00000
  102  102                -0.23960     -0.11980     -3.25935   2.00000
  103  103                -0.22442     -0.11221     -3.05293   2.00000
  104  104                -0.22242     -0.11121     -3.02571   2.00000
  105  105                -0.21162     -0.10581     -2.87872   2.00000
  106  106                -0.17357     -0.08678     -2.36113   2.00000
  107  107                -0.11489     -0.05745     -1.56292   2.00000
  108  108                -0.11318     -0.05659     -1.53966   2.00000
  109  109                -0.08403     -0.04201     -1.14305   2.00000
  110  110                -0.08051     -0.04025     -1.09518   2.00000
  111  111                -0.05821     -0.02911     -0.79192   2.00000
  112  112                -0.05723     -0.02861     -0.77850   2.00000
  113  113                -0.05514     -0.02757     -0.75012   2.00000
  114  114                -0.05312     -0.02656     -0.72266   2.00000
  115  115                -0.05266     -0.02633     -0.71638   0.00000
  116  116                -0.05226     -0.02613     -0.71092   0.00000
  117  117                -0.05160     -0.02580     -0.70189   0.00000
  118  118                -0.05116     -0.02558     -0.69590   0.00000
  119  119                -0.03855     -0.01928     -0.52445   0.00000
  120  120                -0.03770     -0.01885     -0.51280   0.00000
  121  121                -0.02795     -0.01398     -0.38029   0.00000
  122  122                -0.02691     -0.01345     -0.36603   0.00000
  123  123                -0.00134     -0.00067     -0.01817   0.00000
  124  124                 0.01217      0.00608      0.16550   0.00000
  125  125                 0.02962      0.01481      0.40293   0.00000
  126  126                 0.03050      0.01525      0.41489   0.00000
  127  127                 0.03849      0.01925      0.52361   0.00000
  128  128                 0.03951      0.01975      0.53741   0.00000
  129  129                 0.13992      0.06996      1.90336   0.00000
  130  130                 0.14075      0.07037      1.91470   0.00000
  131  131                 0.14206      0.07103      1.93251   0.00000
  132  132                 0.14294      0.07147      1.94447   0.00000
  133  133                 0.17061      0.08531      2.32092   0.00000
  134  134                 0.17252      0.08626      2.34688   0.00000
  135  135                 0.21481      0.10740      2.92213   0.00000
  136  136                 0.22707      0.11353      3.08894   0.00000
  137  137                 0.23481      0.11741      3.19426   0.00000
  138  138                 0.24948      0.12474      3.39386   0.00000
  139  139                 0.31271      0.15635      4.25392   0.00000
  140  140                 0.31308      0.15654      4.25904   0.00000
  141  141                 0.32564      0.16282      4.42990   0.00000
  142  142                 0.32600      0.16300      4.43475   0.00000
  143  143                 0.47325      0.23662      6.43787   0.00000
  144  144                 0.47351      0.23675      6.44139   0.00000
  145  145                 0.48598      0.24299      6.61104   0.00000
  146  146                 0.48636      0.24318      6.61622   0.00000
  147  147                 0.63022      0.31511      8.57324   0.00000
  148  148                 0.64061      0.32031      8.71458   0.00000
  149  149                 0.79375      0.39688     10.79787   0.00000
  150  150                 0.79487      0.39743     10.81302   0.00000
  151  151                 0.79648      0.39824     10.83496   0.00000
  152  152                 0.79762      0.39881     10.85045   0.00000
  153  153                 0.83633      0.41816     11.37701   0.00000
  154  154                 0.84144      0.42072     11.44651   0.00000
  155  155                 0.85503      0.42751     11.63141   0.00000
  156  156                 0.85580      0.42790     11.64185   0.00000
  157  157                 0.85633      0.42816     11.64908   0.00000
  158  158                 0.85710      0.42855     11.65958   0.00000
  159  159                 0.95836      0.47918     13.03703   0.00000
  160  160                 0.96177      0.48089     13.08349   0.00000
  161  161                 0.97741      0.48870     13.29620   0.00000
  162  162                 0.97875      0.48938     13.31449   0.00000
  163  163                 0.98006      0.49003     13.33225   0.00000
  164  164                 0.98150      0.49075     13.35186   0.00000
  165  165                 1.01017      0.50508     13.74186   0.00000
  166  166                 1.01372      0.50686     13.79013   0.00000
  167  167                 1.07129      0.53565     14.57336   0.00000
  168  168                 1.07228      0.53614     14.58681   0.00000
  169  169                 1.12973      0.56486     15.36827   0.00000
  170  170                 1.13158      0.56579     15.39344   0.00000
  171  171                 1.13205      0.56603     15.39988   0.00000
  172  172                 1.13377      0.56689     15.42331   0.00000
  173  173                 1.16556      0.58278     15.85570   0.00000
  174  174                 1.16667      0.58333     15.87079   0.00000
  175  175                 1.22765      0.61383     16.70043   0.00000
  176  176                 1.22845      0.61423     16.71126   0.00000
  177  177                 1.22931      0.61465     16.72291   0.00000
  178  178                 1.23073      0.61537     16.74234   0.00000
  179  179                 1.36468      0.68234     18.56440   0.00000
  180  180                 1.36603      0.68301     18.58278   0.00000
  181  181                 1.37307      0.68654     18.67865   0.00000
  182  182                 1.37337      0.68669     18.68270   0.00000
  183  183                 1.37497      0.68749     18.70445   0.00000
  184  184                 1.37538      0.68769     18.71004   0.00000
  185  185                 1.40120      0.70060     19.06125   0.00000
  186  186                 1.40356      0.70178     19.09337   0.00000
  187  187                 1.57573      0.78786     21.43546   0.00000
  188  188                 1.57603      0.78802     21.43963   0.00000
  189  189                 1.57648      0.78824     21.44576   0.00000
  190  190                 1.57808      0.78904     21.46745   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    4    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430400914E+03   -0.2292104289E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99599E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244704385E+02   -0.1300257330E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069850133E-04   -0.9922564723E-11   -0.9187559929E-10


 ***TOTAL****    0.2679816778E-03   -0.2931763484E-10   -0.2714595819E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431861860E+03   -0.2292554956E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370724963E+02   -0.1338860532E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530650687E-04   -0.1042668808E-10   -0.9654340817E-10


 ***TOTAL****    0.2584642956E-03   -0.2827641763E-10   -0.2618186817E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750009E+03   -0.2292211978E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252853251E+02   -0.1302753528E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100103910E-04   -0.9955662851E-11   -0.9218206344E-10


 ***TOTAL****    0.2680383599E-03   -0.2932383596E-10   -0.2715169996E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427195872E+03   -0.2291115585E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98420E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276244427E+02   -0.1309918820E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188837220E-04   -0.1005273855E-10   -0.9308091246E-10


 ***TOTAL****    0.2424619445E-03   -0.2652573418E-10   -0.2456086498E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422746976E+03   -0.2289743172E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314651396E+02   -0.1321683819E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73900E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334007434E-04   -0.1021155714E-10   -0.9455145500E-10


 ***TOTAL****    0.2086205496E-03   -0.2282343011E-10   -0.2113280565E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526933E+03   -0.2292143164E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240648567E+02   -0.1299014933E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056200161E-04   -0.9907631430E-11   -0.9173732806E-10


 ***TOTAL****    0.2680348200E-03   -0.2932344868E-10   -0.2715134137E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431769088E+03   -0.2292526338E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373025053E+02   -0.1339565106E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538464695E-04   -0.1043523674E-10   -0.9662256237E-10


 ***TOTAL****    0.2583175501E-03   -0.2826036343E-10   -0.2616700318E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59718 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698608E+03   -0.2292196122E-03    0.0000000000E+00


              2   E=       -2.21611 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99318E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251652565E+02   -0.1302385729E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095605297E-04   -0.9950741295E-11   -0.9213649347E-10


 ***TOTAL****    0.2680622842E-03   -0.2932645331E-10   -0.2715412344E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280506E+03   -0.2291141693E-03    0.0000000000E+00


              2   E=       -2.23537 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98370E+01   0.58126E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277469699E+02   -0.1310294151E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193338372E-04   -0.1005766288E-10   -0.9312650815E-10


 ***TOTAL****    0.2427048003E-03   -0.2655230301E-10   -0.2458546575E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65679 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759788E+03   -0.2289747125E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314435673E+02   -0.1321617738E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10977E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333153096E-04   -0.1021062248E-10   -0.9454280074E-10


 ***TOTAL****    0.2087862451E-03   -0.2284155747E-10   -0.2114959025E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95466        2.95466
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40250        1.13417
    6    2  210        2.71193        8.13526        2.71175
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73189        1.12198
    9    3  210        2.94544       17.67272        2.94545
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18732        1.39577
   12    4  210        2.63866        7.91348        2.63783
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45769        1.74295
   15    5  210        2.23506       13.40675        2.23446
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95977        2.95977
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39951        1.13317
   21    7  210        2.70817        8.12466        2.70822
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73500        1.12250
   24    8  210        2.94716       17.68359        2.94727
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17717        1.39239
   27    9  210        2.64001        7.92242        2.64081
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44768        1.74128
   30   10  210        2.23704       13.42523        2.23754



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.278994E-03 0.291728E+00 0.291725E+00 0.103318E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.111919E+03 0.111920E+03 0.231400E-03 0.569287E-09 0.569261E-09 0.459829E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.381327E-03 0.270086E+00 0.270082E+00 0.154860E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.121079E+03 0.121079E+03 0.487174E-03 0.187793E-08 0.187742E-08 0.275477E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.448674E-03 0.650778E-09 0.650633E-09 0.223079E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.235187E-03 0.467655E-09 0.467662E-09 0.151265E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.399267E-03 0.253863E+00 0.253872E+00 0.351994E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.245388E-03 0.204793E-07 0.204798E-07 0.217224E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.120705E+03 0.120706E+03 0.111926E-02 0.841921E-09 0.842169E-09 0.293903E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.525853E-03 0.651701E-09 0.651832E-09 0.200377E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42641     -9.71320   -264.26770   2.00000
    2    2               -19.42626     -9.71313   -264.26576   2.00000
    3    3               -19.42613     -9.71306   -264.26391   2.00000
    4    4               -19.42609     -9.71304   -264.26333   2.00000
    5    5               -19.42599     -9.71299   -264.26201   2.00000
    6    6               -19.42594     -9.71297   -264.26131   2.00000
    7    7               -19.39450     -9.69725   -263.83360   2.00000
    8    8               -19.39192     -9.69596   -263.79854   2.00000
    9    9               -19.31893     -9.65947   -262.80569   2.00000
   10   10               -19.31892     -9.65946   -262.80547   2.00000
   11   11               -19.31883     -9.65942   -262.80435   2.00000
   12   12               -19.31883     -9.65942   -262.80432   2.00000
   13   13               -19.31882     -9.65941   -262.80421   2.00000
   14   14               -19.31874     -9.65937   -262.80310   2.00000
   15   15               -19.31806     -9.65903   -262.79374   2.00000
   16   16               -19.31798     -9.65899   -262.79274   2.00000
   17   17               -19.31795     -9.65898   -262.79233   2.00000
   18   18               -19.31794     -9.65897   -262.79221   2.00000
   19   19               -19.31794     -9.65897   -262.79211   2.00000
   20   20               -19.31792     -9.65896   -262.79193   2.00000
   21   21               -19.30732     -9.65366   -262.64775   2.00000
   22   22               -19.30731     -9.65366   -262.64759   2.00000
   23   23               -19.30731     -9.65365   -262.64754   2.00000
   24   24               -19.30729     -9.65364   -262.64724   2.00000
   25   25               -19.30725     -9.65363   -262.64680   2.00000
   26   26               -19.30721     -9.65360   -262.64619   2.00000
   27   27               -19.30648     -9.65324   -262.63624   2.00000
   28   28               -19.30638     -9.65319   -262.63487   2.00000
   29   29               -19.30635     -9.65317   -262.63448   2.00000
   30   30               -19.30635     -9.65317   -262.63446   2.00000
   31   31               -19.30632     -9.65316   -262.63415   2.00000
   32   32               -19.30630     -9.65315   -262.63381   2.00000
   33   33               -19.27298     -9.63649   -262.18051   2.00000
   34   34               -19.27280     -9.63640   -262.17813   2.00000
   35   35               -19.27271     -9.63636   -262.17693   2.00000
   36   36               -19.27201     -9.63600   -262.16735   2.00000
   37   37               -19.27190     -9.63595   -262.16581   2.00000
   38   38               -19.27186     -9.63593   -262.16532   2.00000
   39   39                -1.44187     -0.72094    -19.61456   2.00000
   40   40                -1.43082     -0.71541    -19.46422   2.00000
   41   41                -1.31795     -0.65897    -17.92872   2.00000
   42   42                -1.31649     -0.65824    -17.90889   2.00000
   43   43                -1.30780     -0.65390    -17.79075   2.00000
   44   44                -1.30640     -0.65320    -17.77172   2.00000
   45   45                -1.17560     -0.58780    -15.99225   2.00000
   46   46                -1.17486     -0.58743    -15.98219   2.00000
   47   47                -1.16635     -0.58318    -15.86651   2.00000
   48   48                -1.16553     -0.58276    -15.85527   2.00000
   49   49                -1.15649     -0.57824    -15.73228   2.00000
   50   50                -1.14708     -0.57354    -15.60433   2.00000
   51   51                -1.07012     -0.53506    -14.55741   2.00000
   52   52                -1.06121     -0.53061    -14.43626   2.00000
   53   53                -0.95927     -0.47963    -13.04946   2.00000
   54   54                -0.95851     -0.47926    -13.03918   2.00000
   55   55                -0.95277     -0.47639    -12.96104   2.00000
   56   56                -0.95193     -0.47596    -12.94960   2.00000
   57   57                -0.94003     -0.47002    -12.78779   2.00000
   58   58                -0.93254     -0.46627    -12.68587   2.00000
   59   59                -0.85310     -0.42655    -11.60519   2.00000
   60   60                -0.85144     -0.42572    -11.58261   2.00000
   61   61                -0.84759     -0.42379    -11.53019   2.00000
   62   62                -0.84603     -0.42302    -11.50902   2.00000
   63   63                -0.76571     -0.38286    -10.41641   2.00000
   64   64                -0.76003     -0.38002    -10.33916   2.00000
   65   65                -0.69730     -0.34865     -9.48578   2.00000
   66   66                -0.69677     -0.34838     -9.47846   2.00000
   67   67                -0.69241     -0.34621     -9.41929   2.00000
   68   68                -0.69173     -0.34587     -9.41002   2.00000
   69   69                -0.65756     -0.32878     -8.94515   2.00000
   70   70                -0.65342     -0.32671     -8.88881   2.00000
   71   71                -0.62102     -0.31051     -8.44802   2.00000
   72   72                -0.62029     -0.31015     -8.43817   2.00000
   73   73                -0.61759     -0.30879     -8.40134   2.00000
   74   74                -0.61677     -0.30838     -8.39019   2.00000
   75   75                -0.58239     -0.29119     -7.92254   2.00000
   76   76                -0.52813     -0.26407     -7.18449   2.00000
   77   77                -0.52277     -0.26138     -7.11146   2.00000
   78   78                -0.52216     -0.26108     -7.10320   2.00000
   79   79                -0.51904     -0.25952     -7.06076   2.00000
   80   80                -0.51844     -0.25922     -7.05266   2.00000
   81   81                -0.48411     -0.24205     -6.58559   2.00000
   82   82                -0.48114     -0.24057     -6.54524   2.00000
   83   83                -0.44716     -0.22358     -6.08298   2.00000
   84   84                -0.44661     -0.22330     -6.07542   2.00000
   85   85                -0.39878     -0.19939     -5.42481   2.00000
   86   86                -0.39851     -0.19926     -5.42117   2.00000
   87   87                -0.31832     -0.15916     -4.33026   2.00000
   88   88                -0.31678     -0.15839     -4.30937   2.00000
   89   89                -0.30936     -0.15468     -4.20837   2.00000
   90   90                -0.30877     -0.15439     -4.20041   2.00000
   91   91                -0.28802     -0.14401     -3.91807   2.00000
   92   92                -0.26990     -0.13495     -3.67162   2.00000
   93   93                -0.26968     -0.13484     -3.66860   2.00000
   94   94                -0.26754     -0.13377     -3.63951   2.00000
   95   95                -0.26702     -0.13351     -3.63241   2.00000
   96   96                -0.26611     -0.13306     -3.62010   2.00000
   97   97                -0.26598     -0.13299     -3.61828   2.00000
   98   98                -0.24711     -0.12355     -3.36151   2.00000
   99   99                -0.24177     -0.12088     -3.28892   2.00000
  100  100                -0.24115     -0.12058     -3.28055   2.00000
  101  101                -0.24007     -0.12004     -3.26581   2.00000
  102  102                -0.23960     -0.11980     -3.25935   2.00000
  103  103                -0.22442     -0.11221     -3.05293   2.00000
  104  104                -0.22242     -0.11121     -3.02571   2.00000
  105  105                -0.21162     -0.10581     -2.87872   2.00000
  106  106                -0.17357     -0.08678     -2.36113   2.00000
  107  107                -0.11489     -0.05744     -1.56288   2.00000
  108  108                -0.11319     -0.05659     -1.53972   2.00000
  109  109                -0.08402     -0.04201     -1.14304   2.00000
  110  110                -0.08051     -0.04025     -1.09519   2.00000
  111  111                -0.05821     -0.02910     -0.79185   2.00000
  112  112                -0.05723     -0.02861     -0.77852   2.00000
  113  113                -0.05514     -0.02757     -0.75014   2.00000
  114  114                -0.05313     -0.02656     -0.72271   2.00000
  115  115                -0.05266     -0.02633     -0.71639   0.00000
  116  116                -0.05227     -0.02613     -0.71100   0.00000
  117  117                -0.05159     -0.02580     -0.70186   0.00000
  118  118                -0.05115     -0.02558     -0.69586   0.00000
  119  119                -0.03855     -0.01928     -0.52444   0.00000
  120  120                -0.03770     -0.01885     -0.51279   0.00000
  121  121                -0.02796     -0.01398     -0.38030   0.00000
  122  122                -0.02691     -0.01345     -0.36605   0.00000
  123  123                -0.00134     -0.00067     -0.01816   0.00000
  124  124                 0.01216      0.00608      0.16549   0.00000
  125  125                 0.02962      0.01481      0.40293   0.00000
  126  126                 0.03050      0.01525      0.41490   0.00000
  127  127                 0.03849      0.01925      0.52360   0.00000
  128  128                 0.03950      0.01975      0.53740   0.00000
  129  129                 0.13992      0.06996      1.90342   0.00000
  130  130                 0.14075      0.07037      1.91465   0.00000
  131  131                 0.14206      0.07103      1.93257   0.00000
  132  132                 0.14293      0.07147      1.94440   0.00000
  133  133                 0.17061      0.08531      2.32097   0.00000
  134  134                 0.17252      0.08626      2.34683   0.00000
  135  135                 0.21481      0.10740      2.92213   0.00000
  136  136                 0.22707      0.11353      3.08893   0.00000
  137  137                 0.23481      0.11741      3.19426   0.00000
  138  138                 0.24948      0.12474      3.39386   0.00000
  139  139                 0.31271      0.15635      4.25393   0.00000
  140  140                 0.31308      0.15654      4.25905   0.00000
  141  141                 0.32564      0.16282      4.42989   0.00000
  142  142                 0.32600      0.16300      4.43474   0.00000
  143  143                 0.47325      0.23662      6.43786   0.00000
  144  144                 0.47351      0.23675      6.44139   0.00000
  145  145                 0.48598      0.24299      6.61104   0.00000
  146  146                 0.48636      0.24318      6.61620   0.00000
  147  147                 0.63022      0.31511      8.57324   0.00000
  148  148                 0.64061      0.32031      8.71457   0.00000
  149  149                 0.79376      0.39688     10.79792   0.00000
  150  150                 0.79487      0.39744     10.81304   0.00000
  151  151                 0.79648      0.39824     10.83491   0.00000
  152  152                 0.79762      0.39881     10.85043   0.00000
  153  153                 0.83633      0.41817     11.37706   0.00000
  154  154                 0.84143      0.42072     11.44646   0.00000
  155  155                 0.85502      0.42751     11.63127   0.00000
  156  156                 0.85581      0.42790     11.64198   0.00000
  157  157                 0.85634      0.42817     11.64922   0.00000
  158  158                 0.85709      0.42854     11.65944   0.00000
  159  159                 0.95836      0.47918     13.03711   0.00000
  160  160                 0.96177      0.48088     13.08341   0.00000
  161  161                 0.97742      0.48871     13.29632   0.00000
  162  162                 0.97875      0.48938     13.31452   0.00000
  163  163                 0.98006      0.49003     13.33222   0.00000
  164  164                 0.98149      0.49075     13.35174   0.00000
  165  165                 1.01017      0.50509     13.74189   0.00000
  166  166                 1.01371      0.50686     13.79009   0.00000
  167  167                 1.07130      0.53565     14.57350   0.00000
  168  168                 1.07227      0.53614     14.58667   0.00000
  169  169                 1.12973      0.56487     15.36836   0.00000
  170  170                 1.13157      0.56579     15.39336   0.00000
  171  171                 1.13206      0.56603     15.39996   0.00000
  172  172                 1.13377      0.56688     15.42324   0.00000
  173  173                 1.16555      0.58277     15.85556   0.00000
  174  174                 1.16668      0.58334     15.87095   0.00000
  175  175                 1.22766      0.61383     16.70056   0.00000
  176  176                 1.22845      0.61423     16.71131   0.00000
  177  177                 1.22930      0.61465     16.72288   0.00000
  178  178                 1.23073      0.61536     16.74221   0.00000
  179  179                 1.36467      0.68233     18.56427   0.00000
  180  180                 1.36604      0.68302     18.58293   0.00000
  181  181                 1.37307      0.68654     18.67864   0.00000
  182  182                 1.37337      0.68669     18.68273   0.00000
  183  183                 1.37496      0.68748     18.70435   0.00000
  184  184                 1.37539      0.68769     18.71015   0.00000
  185  185                 1.40121      0.70060     19.06137   0.00000
  186  186                 1.40355      0.70178     19.09327   0.00000
  187  187                 1.57574      0.78787     21.43561   0.00000
  188  188                 1.57605      0.78802     21.43978   0.00000
  189  189                 1.57647      0.78824     21.44562   0.00000
  190  190                 1.57807      0.78903     21.46731   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    3    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430401202E+03   -0.2292104378E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99598E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244707021E+02   -0.1300258137E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069860089E-04   -0.9922575615E-11   -0.9187570014E-10


 ***TOTAL****    0.2679819884E-03   -0.2931766882E-10   -0.2714598965E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431863120E+03   -0.2292555345E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370725923E+02   -0.1338860826E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530654379E-04   -0.1042669212E-10   -0.9654344557E-10


 ***TOTAL****    0.2584642545E-03   -0.2827641312E-10   -0.2618186400E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750488E+03   -0.2292212126E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252857660E+02   -0.1302754879E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100120529E-04   -0.9955681033E-11   -0.9218223179E-10


 ***TOTAL****    0.2680388575E-03   -0.2932389039E-10   -0.2715175036E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427196079E+03   -0.2291115649E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98419E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276250578E+02   -0.1309920705E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188861041E-04   -0.1005276461E-10   -0.9308115377E-10


 ***TOTAL****    0.2424619267E-03   -0.2652573223E-10   -0.2456086318E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422747094E+03   -0.2289743209E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314655251E+02   -0.1321685000E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73899E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334022433E-04   -0.1021157355E-10   -0.9455160694E-10


 ***TOTAL****    0.2086204094E-03   -0.2282341477E-10   -0.2113279145E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526708E+03   -0.2292143094E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240646390E+02   -0.1299014266E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056192068E-04   -0.9907622576E-11   -0.9173724607E-10


 ***TOTAL****    0.2680346462E-03   -0.2932342967E-10   -0.2715132377E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431767936E+03   -0.2292525983E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373024156E+02   -0.1339564831E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538461104E-04   -0.1043523281E-10   -0.9662252599E-10


 ***TOTAL****    0.2583174962E-03   -0.2826035753E-10   -0.2616699771E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59717 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698099E+03   -0.2292195965E-03    0.0000000000E+00


              2   E=       -2.21610 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99319E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251647674E+02   -0.1302384230E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095603908E-04   -0.9950739775E-11   -0.9213647940E-10


 ***TOTAL****    0.2680623226E-03   -0.2932645751E-10   -0.2715412732E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280255E+03   -0.2291141616E-03    0.0000000000E+00


              2   E=       -2.23536 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98371E+01   0.58127E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277462899E+02   -0.1310292068E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193311953E-04   -0.1005763398E-10   -0.9312624054E-10


 ***TOTAL****    0.2427047260E-03   -0.2655229488E-10   -0.2458545822E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65678 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759664E+03   -0.2289747087E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314432175E+02   -0.1321616667E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10978E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333139410E-04   -0.1021060751E-10   -0.9454266211E-10


 ***TOTAL****    0.2087863341E-03   -0.2284156720E-10   -0.2114959926E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95473        2.95473
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40269        1.13423
    6    2  210        2.71193        8.13597        2.71199
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73202        1.12200
    9    3  210        2.94544       17.67325        2.94554
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18827        1.39609
   12    4  210        2.63865        7.91818        2.63939
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45783        1.74297
   15    5  210        2.23505       13.41362        2.23560
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95971        2.95971
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39938        1.13313
   21    7  210        2.70817        8.12399        2.70800
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73487        1.12248
   24    8  210        2.94716       17.68298        2.94716
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17599        1.39200
   27    9  210        2.64001        7.91734        2.63911
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44756        1.74126
   30   10  210        2.23704       13.41894        2.23649



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.271618E-03 0.458041E-09 0.458048E-09 0.156039E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.120250E+03 0.120250E+03 0.451784E-03 0.294636E-03 0.294647E-03 0.387809E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.299313E-03 0.203833E-07 0.203837E-07 0.186906E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.120962E+03 0.120963E+03 0.977572E-03 0.846133E-09 0.846362E-09 0.270055E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.531136E-03 0.650777E-09 0.650920E-09 0.218938E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.236911E-03 0.280984E+00 0.280981E+00 0.915454E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.224525E-03 0.562935E-09 0.562910E-09 0.431038E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.324186E-03 0.270139E+00 0.270134E+00 0.169477E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.121182E+03 0.121181E+03 0.625990E-03 0.186900E-08 0.186844E-08 0.299563E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.449310E-03 0.651702E-09 0.651570E-09 0.203723E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42642     -9.71321   -264.26782   2.00000
    2    2               -19.42627     -9.71314   -264.26588   2.00000
    3    3               -19.42614     -9.71307   -264.26403   2.00000
    4    4               -19.42608     -9.71304   -264.26321   2.00000
    5    5               -19.42598     -9.71299   -264.26189   2.00000
    6    6               -19.42593     -9.71296   -264.26119   2.00000
    7    7               -19.39450     -9.69725   -263.83371   2.00000
    8    8               -19.39191     -9.69596   -263.79844   2.00000
    9    9               -19.31894     -9.65947   -262.80583   2.00000
   10   10               -19.31893     -9.65946   -262.80561   2.00000
   11   11               -19.31884     -9.65942   -262.80448   2.00000
   12   12               -19.31884     -9.65942   -262.80445   2.00000
   13   13               -19.31883     -9.65942   -262.80435   2.00000
   14   14               -19.31875     -9.65938   -262.80323   2.00000
   15   15               -19.31805     -9.65902   -262.79361   2.00000
   16   16               -19.31797     -9.65899   -262.79261   2.00000
   17   17               -19.31794     -9.65897   -262.79219   2.00000
   18   18               -19.31793     -9.65897   -262.79207   2.00000
   19   19               -19.31793     -9.65896   -262.79198   2.00000
   20   20               -19.31791     -9.65896   -262.79180   2.00000
   21   21               -19.30733     -9.65367   -262.64790   2.00000
   22   22               -19.30732     -9.65366   -262.64774   2.00000
   23   23               -19.30732     -9.65366   -262.64769   2.00000
   24   24               -19.30730     -9.65365   -262.64739   2.00000
   25   25               -19.30726     -9.65363   -262.64696   2.00000
   26   26               -19.30722     -9.65361   -262.64634   2.00000
   27   27               -19.30647     -9.65323   -262.63610   2.00000
   28   28               -19.30637     -9.65318   -262.63473   2.00000
   29   29               -19.30634     -9.65317   -262.63433   2.00000
   30   30               -19.30634     -9.65317   -262.63432   2.00000
   31   31               -19.30631     -9.65316   -262.63400   2.00000
   32   32               -19.30629     -9.65314   -262.63367   2.00000
   33   33               -19.27296     -9.63648   -262.18029   2.00000
   34   34               -19.27279     -9.63639   -262.17791   2.00000
   35   35               -19.27270     -9.63635   -262.17670   2.00000
   36   36               -19.27202     -9.63601   -262.16756   2.00000
   37   37               -19.27191     -9.63596   -262.16602   2.00000
   38   38               -19.27187     -9.63594   -262.16553   2.00000
   39   39                -1.44187     -0.72094    -19.61456   2.00000
   40   40                -1.43082     -0.71541    -19.46422   2.00000
   41   41                -1.31795     -0.65897    -17.92872   2.00000
   42   42                -1.31649     -0.65824    -17.90888   2.00000
   43   43                -1.30780     -0.65390    -17.79075   2.00000
   44   44                -1.30641     -0.65320    -17.77172   2.00000
   45   45                -1.17559     -0.58780    -15.99224   2.00000
   46   46                -1.17486     -0.58743    -15.98219   2.00000
   47   47                -1.16635     -0.58318    -15.86652   2.00000
   48   48                -1.16553     -0.58276    -15.85527   2.00000
   49   49                -1.15649     -0.57824    -15.73228   2.00000
   50   50                -1.14708     -0.57354    -15.60433   2.00000
   51   51                -1.07012     -0.53506    -14.55742   2.00000
   52   52                -1.06121     -0.53061    -14.43625   2.00000
   53   53                -0.95927     -0.47964    -13.04946   2.00000
   54   54                -0.95852     -0.47926    -13.03919   2.00000
   55   55                -0.95277     -0.47639    -12.96104   2.00000
   56   56                -0.95193     -0.47596    -12.94959   2.00000
   57   57                -0.94003     -0.47002    -12.78777   2.00000
   58   58                -0.93254     -0.46627    -12.68589   2.00000
   59   59                -0.85310     -0.42655    -11.60516   2.00000
   60   60                -0.85144     -0.42572    -11.58261   2.00000
   61   61                -0.84759     -0.42379    -11.53021   2.00000
   62   62                -0.84603     -0.42302    -11.50902   2.00000
   63   63                -0.76571     -0.38286    -10.41642   2.00000
   64   64                -0.76003     -0.38002    -10.33915   2.00000
   65   65                -0.69730     -0.34865     -9.48579   2.00000
   66   66                -0.69677     -0.34838     -9.47849   2.00000
   67   67                -0.69241     -0.34621     -9.41928   2.00000
   68   68                -0.69173     -0.34587     -9.40999   2.00000
   69   69                -0.65756     -0.32878     -8.94518   2.00000
   70   70                -0.65342     -0.32671     -8.88877   2.00000
   71   71                -0.62102     -0.31051     -8.44803   2.00000
   72   72                -0.62029     -0.31015     -8.43815   2.00000
   73   73                -0.61758     -0.30879     -8.40132   2.00000
   74   74                -0.61677     -0.30838     -8.39022   2.00000
   75   75                -0.58239     -0.29119     -7.92254   2.00000
   76   76                -0.52813     -0.26407     -7.18449   2.00000
   77   77                -0.52276     -0.26138     -7.11144   2.00000
   78   78                -0.52216     -0.26108     -7.10322   2.00000
   79   79                -0.51904     -0.25952     -7.06078   2.00000
   80   80                -0.51844     -0.25922     -7.05264   2.00000
   81   81                -0.48411     -0.24205     -6.58560   2.00000
   82   82                -0.48114     -0.24057     -6.54522   2.00000
   83   83                -0.44716     -0.22358     -6.08298   2.00000
   84   84                -0.44661     -0.22330     -6.07542   2.00000
   85   85                -0.39878     -0.19939     -5.42481   2.00000
   86   86                -0.39851     -0.19926     -5.42117   2.00000
   87   87                -0.31832     -0.15916     -4.33022   2.00000
   88   88                -0.31679     -0.15839     -4.30941   2.00000
   89   89                -0.30936     -0.15468     -4.20837   2.00000
   90   90                -0.30877     -0.15439     -4.20041   2.00000
   91   91                -0.28802     -0.14401     -3.91807   2.00000
   92   92                -0.26990     -0.13495     -3.67161   2.00000
   93   93                -0.26968     -0.13484     -3.66860   2.00000
   94   94                -0.26754     -0.13377     -3.63943   2.00000
   95   95                -0.26702     -0.13351     -3.63244   2.00000
   96   96                -0.26612     -0.13306     -3.62018   2.00000
   97   97                -0.26598     -0.13299     -3.61826   2.00000
   98   98                -0.24711     -0.12355     -3.36151   2.00000
   99   99                -0.24177     -0.12088     -3.28888   2.00000
  100  100                -0.24116     -0.12058     -3.28056   2.00000
  101  101                -0.24007     -0.12004     -3.26585   2.00000
  102  102                -0.23960     -0.11980     -3.25935   2.00000
  103  103                -0.22442     -0.11221     -3.05293   2.00000
  104  104                -0.22242     -0.11121     -3.02572   2.00000
  105  105                -0.21162     -0.10581     -2.87872   2.00000
  106  106                -0.17357     -0.08678     -2.36113   2.00000
  107  107                -0.11489     -0.05745     -1.56293   2.00000
  108  108                -0.11318     -0.05659     -1.53967   2.00000
  109  109                -0.08403     -0.04201     -1.14305   2.00000
  110  110                -0.08051     -0.04025     -1.09518   2.00000
  111  111                -0.05821     -0.02911     -0.79192   2.00000
  112  112                -0.05723     -0.02861     -0.77850   2.00000
  113  113                -0.05514     -0.02757     -0.75012   2.00000
  114  114                -0.05312     -0.02656     -0.72266   2.00000
  115  115                -0.05266     -0.02633     -0.71639   0.00000
  116  116                -0.05226     -0.02613     -0.71093   0.00000
  117  117                -0.05160     -0.02580     -0.70189   0.00000
  118  118                -0.05116     -0.02558     -0.69590   0.00000
  119  119                -0.03855     -0.01928     -0.52445   0.00000
  120  120                -0.03770     -0.01885     -0.51280   0.00000
  121  121                -0.02796     -0.01398     -0.38029   0.00000
  122  122                -0.02691     -0.01345     -0.36604   0.00000
  123  123                -0.00134     -0.00067     -0.01817   0.00000
  124  124                 0.01217      0.00608      0.16549   0.00000
  125  125                 0.02962      0.01481      0.40292   0.00000
  126  126                 0.03050      0.01525      0.41489   0.00000
  127  127                 0.03849      0.01925      0.52361   0.00000
  128  128                 0.03951      0.01975      0.53741   0.00000
  129  129                 0.13992      0.06996      1.90335   0.00000
  130  130                 0.14075      0.07037      1.91469   0.00000
  131  131                 0.14206      0.07103      1.93251   0.00000
  132  132                 0.14294      0.07147      1.94447   0.00000
  133  133                 0.17061      0.08531      2.32092   0.00000
  134  134                 0.17252      0.08626      2.34687   0.00000
  135  135                 0.21481      0.10740      2.92213   0.00000
  136  136                 0.22707      0.11353      3.08893   0.00000
  137  137                 0.23481      0.11741      3.19426   0.00000
  138  138                 0.24948      0.12474      3.39386   0.00000
  139  139                 0.31271      0.15635      4.25392   0.00000
  140  140                 0.31308      0.15654      4.25904   0.00000
  141  141                 0.32564      0.16282      4.42990   0.00000
  142  142                 0.32600      0.16300      4.43475   0.00000
  143  143                 0.47325      0.23662      6.43786   0.00000
  144  144                 0.47351      0.23675      6.44138   0.00000
  145  145                 0.48598      0.24299      6.61103   0.00000
  146  146                 0.48636      0.24318      6.61621   0.00000
  147  147                 0.63022      0.31511      8.57324   0.00000
  148  148                 0.64061      0.32031      8.71458   0.00000
  149  149                 0.79375      0.39688     10.79787   0.00000
  150  150                 0.79487      0.39743     10.81302   0.00000
  151  151                 0.79648      0.39824     10.83496   0.00000
  152  152                 0.79762      0.39881     10.85045   0.00000
  153  153                 0.83633      0.41816     11.37701   0.00000
  154  154                 0.84144      0.42072     11.44650   0.00000
  155  155                 0.85503      0.42751     11.63141   0.00000
  156  156                 0.85580      0.42790     11.64184   0.00000
  157  157                 0.85633      0.42816     11.64908   0.00000
  158  158                 0.85710      0.42855     11.65957   0.00000
  159  159                 0.95836      0.47918     13.03703   0.00000
  160  160                 0.96177      0.48089     13.08349   0.00000
  161  161                 0.97741      0.48870     13.29620   0.00000
  162  162                 0.97875      0.48938     13.31449   0.00000
  163  163                 0.98006      0.49003     13.33225   0.00000
  164  164                 0.98150      0.49075     13.35186   0.00000
  165  165                 1.01017      0.50508     13.74186   0.00000
  166  166                 1.01372      0.50686     13.79012   0.00000
  167  167                 1.07129      0.53565     14.57336   0.00000
  168  168                 1.07228      0.53614     14.58680   0.00000
  169  169                 1.12973      0.56486     15.36826   0.00000
  170  170                 1.13158      0.56579     15.39344   0.00000
  171  171                 1.13205      0.56603     15.39988   0.00000
  172  172                 1.13377      0.56689     15.42331   0.00000
  173  173                 1.16556      0.58278     15.85570   0.00000
  174  174                 1.16667      0.58333     15.87079   0.00000
  175  175                 1.22765      0.61383     16.70042   0.00000
  176  176                 1.22845      0.61423     16.71126   0.00000
  177  177                 1.22931      0.61465     16.72290   0.00000
  178  178                 1.23073      0.61537     16.74234   0.00000
  179  179                 1.36467      0.68234     18.56439   0.00000
  180  180                 1.36603      0.68301     18.58278   0.00000
  181  181                 1.37307      0.68654     18.67865   0.00000
  182  182                 1.37337      0.68669     18.68270   0.00000
  183  183                 1.37497      0.68748     18.70444   0.00000
  184  184                 1.37538      0.68769     18.71004   0.00000
  185  185                 1.40120      0.70060     19.06125   0.00000
  186  186                 1.40356      0.70178     19.09336   0.00000
  187  187                 1.57573      0.78786     21.43546   0.00000
  188  188                 1.57603      0.78802     21.43963   0.00000
  189  189                 1.57648      0.78824     21.44575   0.00000
  190  190                 1.57808      0.78904     21.46744   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    2    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430400932E+03   -0.2292104295E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99599E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244704420E+02   -0.1300257341E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069850399E-04   -0.9922565014E-11   -0.9187560199E-10


 ***TOTAL****    0.2679817690E-03   -0.2931764482E-10   -0.2714596743E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431861836E+03   -0.2292554949E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370724925E+02   -0.1338860520E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530650390E-04   -0.1042668776E-10   -0.9654340517E-10


 ***TOTAL****    0.2584641976E-03   -0.2827640690E-10   -0.2618185824E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750029E+03   -0.2292211984E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252853286E+02   -0.1302753539E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100104185E-04   -0.9955663151E-11   -0.9218206622E-10


 ***TOTAL****    0.2680384525E-03   -0.2932384609E-10   -0.2715170934E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427195854E+03   -0.2291115580E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98420E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276244448E+02   -0.1309918827E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188837221E-04   -0.1005273855E-10   -0.9308091248E-10


 ***TOTAL****    0.2424618767E-03   -0.2652572677E-10   -0.2456085812E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422746959E+03   -0.2289743167E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314651408E+02   -0.1321683823E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73900E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334007397E-04   -0.1021155710E-10   -0.9455145463E-10


 ***TOTAL****    0.2086205078E-03   -0.2282342553E-10   -0.2113280142E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526952E+03   -0.2292143170E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240648605E+02   -0.1299014945E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056200438E-04   -0.9907631733E-11   -0.9173733086E-10


 ***TOTAL****    0.2680349168E-03   -0.2932345927E-10   -0.2715135118E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431769068E+03   -0.2292526332E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373025021E+02   -0.1339565096E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538464428E-04   -0.1043523644E-10   -0.9662255966E-10


 ***TOTAL****    0.2583174493E-03   -0.2826035240E-10   -0.2616699296E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59718 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698632E+03   -0.2292196129E-03    0.0000000000E+00


              2   E=       -2.21611 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99318E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251652618E+02   -0.1302385745E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095605650E-04   -0.9950741681E-11   -0.9213649704E-10


 ***TOTAL****    0.2680623733E-03   -0.2932646306E-10   -0.2715413247E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280489E+03   -0.2291141688E-03    0.0000000000E+00


              2   E=       -2.23537 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98370E+01   0.58126E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277469730E+02   -0.1310294161E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193338416E-04   -0.1005766293E-10   -0.9312650860E-10


 ***TOTAL****    0.2427047215E-03   -0.2655229439E-10   -0.2458545777E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65679 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759771E+03   -0.2289747120E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314435707E+02   -0.1321617749E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10977E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333153149E-04   -0.1021062254E-10   -0.9454280129E-10


 ***TOTAL****    0.2087862045E-03   -0.2284155303E-10   -0.2114958613E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95466        2.95466
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40250        1.13417
    6    2  210        2.71193        8.13526        2.71175
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73189        1.12198
    9    3  210        2.94544       17.67272        2.94545
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18732        1.39577
   12    4  210        2.63866        7.91348        2.63783
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45769        1.74295
   15    5  210        2.23506       13.40674        2.23446
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95977        2.95977
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39951        1.13317
   21    7  210        2.70817        8.12466        2.70822
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73500        1.12250
   24    8  210        2.94716       17.68359        2.94727
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17717        1.39239
   27    9  210        2.64001        7.92242        2.64081
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44768        1.74128
   30   10  210        2.23704       13.42523        2.23754



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.273908E-03 0.291728E+00 0.291725E+00 0.102608E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.111919E+03 0.111920E+03 0.224983E-03 0.569287E-09 0.569261E-09 0.460454E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.375166E-03 0.270086E+00 0.270082E+00 0.154249E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.121079E+03 0.121079E+03 0.488924E-03 0.187793E-08 0.187742E-08 0.275997E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.440027E-03 0.650778E-09 0.650633E-09 0.223722E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.230781E-03 0.467655E-09 0.467662E-09 0.150758E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.393643E-03 0.253863E+00 0.253872E+00 0.351695E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.239974E-03 0.204793E-07 0.204798E-07 0.216714E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.120705E+03 0.120706E+03 0.111259E-02 0.841921E-09 0.842169E-09 0.294340E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.517439E-03 0.651701E-09 0.651832E-09 0.200639E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42641     -9.71320   -264.26770   2.00000
    2    2               -19.42626     -9.71313   -264.26577   2.00000
    3    3               -19.42613     -9.71306   -264.26391   2.00000
    4    4               -19.42609     -9.71304   -264.26333   2.00000
    5    5               -19.42599     -9.71299   -264.26202   2.00000
    6    6               -19.42594     -9.71297   -264.26131   2.00000
    7    7               -19.39450     -9.69725   -263.83360   2.00000
    8    8               -19.39192     -9.69596   -263.79855   2.00000
    9    9               -19.31893     -9.65947   -262.80570   2.00000
   10   10               -19.31892     -9.65946   -262.80548   2.00000
   11   11               -19.31884     -9.65942   -262.80435   2.00000
   12   12               -19.31883     -9.65942   -262.80432   2.00000
   13   13               -19.31883     -9.65941   -262.80422   2.00000
   14   14               -19.31874     -9.65937   -262.80310   2.00000
   15   15               -19.31806     -9.65903   -262.79375   2.00000
   16   16               -19.31798     -9.65899   -262.79275   2.00000
   17   17               -19.31795     -9.65898   -262.79233   2.00000
   18   18               -19.31794     -9.65897   -262.79222   2.00000
   19   19               -19.31794     -9.65897   -262.79212   2.00000
   20   20               -19.31792     -9.65896   -262.79194   2.00000
   21   21               -19.30732     -9.65366   -262.64775   2.00000
   22   22               -19.30731     -9.65366   -262.64759   2.00000
   23   23               -19.30731     -9.65365   -262.64755   2.00000
   24   24               -19.30729     -9.65364   -262.64725   2.00000
   25   25               -19.30725     -9.65363   -262.64681   2.00000
   26   26               -19.30721     -9.65360   -262.64619   2.00000
   27   27               -19.30648     -9.65324   -262.63624   2.00000
   28   28               -19.30638     -9.65319   -262.63487   2.00000
   29   29               -19.30635     -9.65317   -262.63448   2.00000
   30   30               -19.30635     -9.65317   -262.63446   2.00000
   31   31               -19.30632     -9.65316   -262.63415   2.00000
   32   32               -19.30630     -9.65315   -262.63381   2.00000
   33   33               -19.27298     -9.63649   -262.18051   2.00000
   34   34               -19.27280     -9.63640   -262.17814   2.00000
   35   35               -19.27271     -9.63636   -262.17693   2.00000
   36   36               -19.27201     -9.63600   -262.16736   2.00000
   37   37               -19.27190     -9.63595   -262.16582   2.00000
   38   38               -19.27186     -9.63593   -262.16532   2.00000
   39   39                -1.44187     -0.72094    -19.61456   2.00000
   40   40                -1.43082     -0.71541    -19.46422   2.00000
   41   41                -1.31795     -0.65897    -17.92872   2.00000
   42   42                -1.31649     -0.65824    -17.90889   2.00000
   43   43                -1.30780     -0.65390    -17.79076   2.00000
   44   44                -1.30641     -0.65320    -17.77172   2.00000
   45   45                -1.17560     -0.58780    -15.99225   2.00000
   46   46                -1.17486     -0.58743    -15.98219   2.00000
   47   47                -1.16635     -0.58318    -15.86652   2.00000
   48   48                -1.16553     -0.58276    -15.85528   2.00000
   49   49                -1.15649     -0.57824    -15.73229   2.00000
   50   50                -1.14708     -0.57354    -15.60434   2.00000
   51   51                -1.07012     -0.53506    -14.55742   2.00000
   52   52                -1.06121     -0.53061    -14.43626   2.00000
   53   53                -0.95927     -0.47964    -13.04946   2.00000
   54   54                -0.95851     -0.47926    -13.03918   2.00000
   55   55                -0.95277     -0.47639    -12.96105   2.00000
   56   56                -0.95193     -0.47596    -12.94960   2.00000
   57   57                -0.94003     -0.47002    -12.78779   2.00000
   58   58                -0.93254     -0.46627    -12.68588   2.00000
   59   59                -0.85310     -0.42655    -11.60519   2.00000
   60   60                -0.85144     -0.42572    -11.58262   2.00000
   61   61                -0.84759     -0.42379    -11.53019   2.00000
   62   62                -0.84603     -0.42302    -11.50902   2.00000
   63   63                -0.76571     -0.38286    -10.41641   2.00000
   64   64                -0.76004     -0.38002    -10.33916   2.00000
   65   65                -0.69730     -0.34865     -9.48578   2.00000
   66   66                -0.69677     -0.34838     -9.47847   2.00000
   67   67                -0.69242     -0.34621     -9.41929   2.00000
   68   68                -0.69173     -0.34587     -9.41002   2.00000
   69   69                -0.65756     -0.32878     -8.94515   2.00000
   70   70                -0.65342     -0.32671     -8.88881   2.00000
   71   71                -0.62102     -0.31051     -8.44803   2.00000
   72   72                -0.62029     -0.31015     -8.43818   2.00000
   73   73                -0.61759     -0.30879     -8.40134   2.00000
   74   74                -0.61677     -0.30838     -8.39019   2.00000
   75   75                -0.58239     -0.29119     -7.92254   2.00000
   76   76                -0.52813     -0.26407     -7.18450   2.00000
   77   77                -0.52277     -0.26138     -7.11146   2.00000
   78   78                -0.52216     -0.26108     -7.10320   2.00000
   79   79                -0.51904     -0.25952     -7.06077   2.00000
   80   80                -0.51844     -0.25922     -7.05267   2.00000
   81   81                -0.48411     -0.24205     -6.58559   2.00000
   82   82                -0.48114     -0.24057     -6.54524   2.00000
   83   83                -0.44716     -0.22358     -6.08299   2.00000
   84   84                -0.44661     -0.22330     -6.07542   2.00000
   85   85                -0.39878     -0.19939     -5.42481   2.00000
   86   86                -0.39851     -0.19926     -5.42118   2.00000
   87   87                -0.31832     -0.15916     -4.33026   2.00000
   88   88                -0.31678     -0.15839     -4.30938   2.00000
   89   89                -0.30936     -0.15468     -4.20837   2.00000
   90   90                -0.30877     -0.15439     -4.20041   2.00000
   91   91                -0.28802     -0.14401     -3.91807   2.00000
   92   92                -0.26990     -0.13495     -3.67162   2.00000
   93   93                -0.26968     -0.13484     -3.66861   2.00000
   94   94                -0.26754     -0.13377     -3.63952   2.00000
   95   95                -0.26702     -0.13351     -3.63242   2.00000
   96   96                -0.26611     -0.13306     -3.62010   2.00000
   97   97                -0.26598     -0.13299     -3.61829   2.00000
   98   98                -0.24711     -0.12355     -3.36152   2.00000
   99   99                -0.24177     -0.12089     -3.28893   2.00000
  100  100                -0.24115     -0.12058     -3.28055   2.00000
  101  101                -0.24007     -0.12004     -3.26581   2.00000
  102  102                -0.23960     -0.11980     -3.25936   2.00000
  103  103                -0.22442     -0.11221     -3.05294   2.00000
  104  104                -0.22242     -0.11121     -3.02571   2.00000
  105  105                -0.21162     -0.10581     -2.87873   2.00000
  106  106                -0.17357     -0.08678     -2.36113   2.00000
  107  107                -0.11489     -0.05744     -1.56288   2.00000
  108  108                -0.11319     -0.05659     -1.53972   2.00000
  109  109                -0.08403     -0.04201     -1.14304   2.00000
  110  110                -0.08051     -0.04025     -1.09520   2.00000
  111  111                -0.05821     -0.02910     -0.79185   2.00000
  112  112                -0.05723     -0.02861     -0.77852   2.00000
  113  113                -0.05514     -0.02757     -0.75015   2.00000
  114  114                -0.05313     -0.02656     -0.72271   2.00000
  115  115                -0.05266     -0.02633     -0.71640   0.00000
  116  116                -0.05227     -0.02613     -0.71100   0.00000
  117  117                -0.05159     -0.02580     -0.70186   0.00000
  118  118                -0.05115     -0.02558     -0.69586   0.00000
  119  119                -0.03855     -0.01928     -0.52445   0.00000
  120  120                -0.03770     -0.01885     -0.51279   0.00000
  121  121                -0.02796     -0.01398     -0.38030   0.00000
  122  122                -0.02691     -0.01345     -0.36605   0.00000
  123  123                -0.00134     -0.00067     -0.01817   0.00000
  124  124                 0.01216      0.00608      0.16548   0.00000
  125  125                 0.02962      0.01481      0.40293   0.00000
  126  126                 0.03050      0.01525      0.41489   0.00000
  127  127                 0.03849      0.01925      0.52360   0.00000
  128  128                 0.03950      0.01975      0.53740   0.00000
  129  129                 0.13992      0.06996      1.90341   0.00000
  130  130                 0.14075      0.07037      1.91464   0.00000
  131  131                 0.14206      0.07103      1.93257   0.00000
  132  132                 0.14293      0.07147      1.94439   0.00000
  133  133                 0.17061      0.08531      2.32096   0.00000
  134  134                 0.17252      0.08626      2.34683   0.00000
  135  135                 0.21481      0.10740      2.92213   0.00000
  136  136                 0.22707      0.11353      3.08892   0.00000
  137  137                 0.23481      0.11741      3.19426   0.00000
  138  138                 0.24948      0.12474      3.39385   0.00000
  139  139                 0.31271      0.15635      4.25392   0.00000
  140  140                 0.31308      0.15654      4.25904   0.00000
  141  141                 0.32564      0.16282      4.42989   0.00000
  142  142                 0.32600      0.16300      4.43474   0.00000
  143  143                 0.47325      0.23662      6.43786   0.00000
  144  144                 0.47351      0.23675      6.44139   0.00000
  145  145                 0.48598      0.24299      6.61104   0.00000
  146  146                 0.48636      0.24318      6.61620   0.00000
  147  147                 0.63022      0.31511      8.57324   0.00000
  148  148                 0.64061      0.32031      8.71457   0.00000
  149  149                 0.79376      0.39688     10.79791   0.00000
  150  150                 0.79487      0.39744     10.81304   0.00000
  151  151                 0.79648      0.39824     10.83491   0.00000
  152  152                 0.79762      0.39881     10.85042   0.00000
  153  153                 0.83633      0.41817     11.37706   0.00000
  154  154                 0.84143      0.42072     11.44645   0.00000
  155  155                 0.85502      0.42751     11.63127   0.00000
  156  156                 0.85581      0.42790     11.64198   0.00000
  157  157                 0.85634      0.42817     11.64922   0.00000
  158  158                 0.85709      0.42854     11.65944   0.00000
  159  159                 0.95836      0.47918     13.03711   0.00000
  160  160                 0.96177      0.48088     13.08340   0.00000
  161  161                 0.97742      0.48871     13.29632   0.00000
  162  162                 0.97875      0.48938     13.31452   0.00000
  163  163                 0.98006      0.49003     13.33221   0.00000
  164  164                 0.98149      0.49075     13.35174   0.00000
  165  165                 1.01017      0.50509     13.74189   0.00000
  166  166                 1.01371      0.50686     13.79009   0.00000
  167  167                 1.07130      0.53565     14.57350   0.00000
  168  168                 1.07227      0.53614     14.58667   0.00000
  169  169                 1.12973      0.56487     15.36836   0.00000
  170  170                 1.13157      0.56579     15.39336   0.00000
  171  171                 1.13206      0.56603     15.39995   0.00000
  172  172                 1.13377      0.56688     15.42323   0.00000
  173  173                 1.16555      0.58277     15.85555   0.00000
  174  174                 1.16668      0.58334     15.87094   0.00000
  175  175                 1.22766      0.61383     16.70056   0.00000
  176  176                 1.22845      0.61423     16.71130   0.00000
  177  177                 1.22930      0.61465     16.72287   0.00000
  178  178                 1.23073      0.61536     16.74221   0.00000
  179  179                 1.36467      0.68233     18.56427   0.00000
  180  180                 1.36604      0.68302     18.58293   0.00000
  181  181                 1.37307      0.68654     18.67863   0.00000
  182  182                 1.37337      0.68669     18.68273   0.00000
  183  183                 1.37496      0.68748     18.70435   0.00000
  184  184                 1.37539      0.68769     18.71014   0.00000
  185  185                 1.40121      0.70060     19.06136   0.00000
  186  186                 1.40355      0.70178     19.09327   0.00000
  187  187                 1.57574      0.78787     21.43561   0.00000
  188  188                 1.57605      0.78802     21.43978   0.00000
  189  189                 1.57647      0.78824     21.44562   0.00000
  190  190                 1.57807      0.78903     21.46731   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    1    0
NSCF,NSCC,MFIX,MFLZWELLSCCS        
 NMAX,PHM,TOLE,DEL,SHIKII =     76000 0.84782E-02 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  C H FOR NON- SPIN



              1   E=      -11.58824 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   0.64320E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26992E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430401220E+03   -0.2292104384E-03    0.0000000000E+00


              2   E=       -2.20932 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   0.38804E+01   0.96977E+00   0.10000E+01   0.14537E+01   0.24592E+01   0.99598E+01   0.59265E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4244707060E+02   -0.1300258149E-04    0.0000000000E+00


              3   E=       -1.87649 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21316E+01   0.10718E+01   0.87670E+00   0.10000E+01   0.14499E+01   0.25198E+01   0.11421E+02   0.78448E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9069860367E-04   -0.9922575919E-11   -0.9187570295E-10


 ***TOTAL****    0.2679820793E-03   -0.2931767877E-10   -0.2714599886E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74373 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   0.64332E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26948E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431863099E+03   -0.2292555338E-03    0.0000000000E+00


              2   E=       -2.33119 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   0.39855E+01   0.98246E+00   0.10000E+01   0.14372E+01   0.24022E+01   0.94741E+01   0.54747E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4370725888E+02   -0.1338860815E-04    0.0000000000E+00


              3   E=       -1.99874 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22219E+01   0.11055E+01   0.89145E+00   0.10000E+01   0.14243E+01   0.24303E+01   0.10609E+02   0.70055E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9530654098E-04   -0.1042669181E-10   -0.9654344273E-10


 ***TOTAL****    0.2584641573E-03   -0.2827640250E-10   -0.2618185416E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59872 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26987E-01   0.14128E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430750509E+03   -0.2292212132E-03    0.0000000000E+00


              2   E=       -2.21726 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   0.38872E+01   0.97060E+00   0.10000E+01   0.14526E+01   0.24554E+01   0.99270E+01   0.58955E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4252857702E+02   -0.1302754891E-04    0.0000000000E+00


              3   E=       -1.88444 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21375E+01   0.10740E+01   0.87767E+00   0.10000E+01   0.14482E+01   0.25138E+01   0.11366E+02   0.77864E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9100120829E-04   -0.9955681361E-11   -0.9218223482E-10


 ***TOTAL****    0.2680389501E-03   -0.2932390053E-10   -0.2715175975E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.61987 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   0.64299E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14133E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427196062E+03   -0.2291115644E-03    0.0000000000E+00


              2   E=       -2.23412 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   0.39070E+01   0.97295E+00   0.10000E+01   0.14497E+01   0.24453E+01   0.98419E+01   0.58173E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4276250609E+02   -0.1309920714E-04    0.0000000000E+00


              3   E=       -1.90159 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21551E+01   0.10805E+01   0.88051E+00   0.10000E+01   0.14434E+01   0.24971E+01   0.11217E+02   0.76346E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9188861081E-04   -0.1005276465E-10   -0.9308115418E-10


 ***TOTAL****    0.2424618595E-03   -0.2652572488E-10   -0.2456085637E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65701 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422747078E+03   -0.2289743204E-03    0.0000000000E+00


              2   E=       -2.26340 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   0.39393E+01   0.97681E+00   0.10000E+01   0.14448E+01   0.24286E+01   0.97022E+01   0.56890E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314655272E+02   -0.1321685007E-04    0.0000000000E+00


              3   E=       -1.93130 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21838E+01   0.10912E+01   0.88512E+00   0.10000E+01   0.14355E+01   0.24700E+01   0.10976E+02   0.73899E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9334022433E-04   -0.1021157355E-10   -0.9455160694E-10


 ***TOTAL****    0.2086203677E-03   -0.2282341021E-10   -0.2113278723E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.58332 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   0.64321E+02   0.56087E+01   0.10000E+01   0.27268E+00   0.10084E+00   0.26991E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430526726E+03   -0.2292143100E-03    0.0000000000E+00


              2   E=       -2.20503 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   0.38770E+01   0.96936E+00   0.10000E+01   0.14542E+01   0.24611E+01   0.99767E+01   0.59425E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4240646422E+02   -0.1299014276E-04    0.0000000000E+00


              3   E=       -1.87219 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21288E+01   0.10707E+01   0.87623E+00   0.10000E+01   0.14508E+01   0.25228E+01   0.11450E+02   0.78753E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9056192324E-04   -0.9907622856E-11   -0.9173724866E-10


 ***TOTAL****    0.2680347417E-03   -0.2932344012E-10   -0.2715133345E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.74644 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   0.64331E+02   0.56094E+01   0.10000E+01   0.27262E+00   0.10078E+00   0.26949E-01   0.14086E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7431767914E+03   -0.2292525976E-03    0.0000000000E+00


              2   E=       -2.33356 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   0.39875E+01   0.98269E+00   0.10000E+01   0.14369E+01   0.24011E+01   0.94655E+01   0.54668E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4373024124E+02   -0.1339564822E-04    0.0000000000E+00


              3   E=       -2.00111 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.22235E+01   0.11061E+01   0.89172E+00   0.10000E+01   0.14238E+01   0.24287E+01   0.10594E+02   0.69910E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9538460839E-04   -0.1043523252E-10   -0.9662252331E-10


 ***TOTAL****    0.2583173962E-03   -0.2826034659E-10   -0.2616698758E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.59718 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   0.64322E+02   0.56088E+01   0.10000E+01   0.27267E+00   0.10083E+00   0.26988E-01   0.14129E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7430698122E+03   -0.2292195972E-03    0.0000000000E+00


              2   E=       -2.21610 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   0.38862E+01   0.97048E+00   0.10000E+01   0.14528E+01   0.24559E+01   0.99319E+01   0.59001E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4251647715E+02   -0.1302384243E-04    0.0000000000E+00


              3   E=       -1.88328 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21366E+01   0.10737E+01   0.87753E+00   0.10000E+01   0.14484E+01   0.25147E+01   0.11374E+02   0.77949E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9095604250E-04   -0.9950740149E-11   -0.9213648286E-10


 ***TOTAL****    0.2680624109E-03   -0.2932646717E-10   -0.2715413627E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.62150 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   0.64300E+02   0.56078E+01   0.10000E+01   0.27271E+00   0.10086E+00   0.26997E-01   0.14132E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7427280238E+03   -0.2291141610E-03    0.0000000000E+00


              2   E=       -2.23536 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   0.39080E+01   0.97308E+00   0.10000E+01   0.14495E+01   0.24447E+01   0.98371E+01   0.58127E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4277462917E+02   -0.1310292074E-04    0.0000000000E+00


              3   E=       -1.90283 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21560E+01   0.10809E+01   0.88065E+00   0.10000E+01   0.14431E+01   0.24962E+01   0.11209E+02   0.76260E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9193311947E-04   -0.1005763397E-10   -0.9312624048E-10


 ***TOTAL****    0.2427046478E-03   -0.2655228632E-10   -0.2458545030E-09
     ADD WELL POTENTIAL         0.20000E+01        -0.20000E+01



            SSO BASIS FUNCTION OF  C H FOR NON- SPIN



              1   E=      -11.65678 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   0.64270E+02   0.56065E+01   0.10000E+01   0.27276E+00   0.10089E+00   0.27007E-01   0.14135E-01


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.7422759647E+03   -0.2289747081E-03    0.0000000000E+00


              2   E=       -2.26324 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   0.39391E+01   0.97679E+00   0.10000E+01   0.14448E+01   0.24287E+01   0.97030E+01   0.56897E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.4314432202E+02   -0.1321616675E-04    0.0000000000E+00


              3   E=       -1.93113 HR      (  210)


     EXPECTATION VALUES OF R**N    
             ( R**-3 )     ( R**-2 )     ( R**-1 )     ( R**0 )      ( R**1 )      ( R**2 )      ( R**4 )      ( R**6 )
            0.21836E+01   0.10911E+01   0.88510E+00   0.10000E+01   0.14356E+01   0.24702E+01   0.10978E+02   0.73913E+02


      CHARGE DENSITY AT NUCLEUS
          RHO(0)               MONOPOLE-CORR       QUADRUPOLE-CORR
             0.9333139436E-04   -0.1021060754E-10   -0.9454266237E-10


 ***TOTAL****    0.2087862940E-03   -0.2284156281E-10   -0.2114959520E-09
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        2.00036        2.00036        2.00036
    2    1  200        1.12798        1.12804        1.12804
    3    1  210        2.95464        2.95473        2.95473
    4    2  100        1.99995        5.99988        1.99996
    5    2  200        1.13426        3.40269        1.13423
    6    2  210        2.71192        8.13597        2.71199
    7    3  100        2.00007       12.00042        2.00007
    8    3  200        1.12194        6.73202        1.12200
    9    3  210        2.94544       17.67325        2.94554
   10    4  100        2.00004        6.00014        2.00005
   11    4  200        1.39591        4.18827        1.39609
   12    4  210        2.63865        7.91818        2.63939
   13    5  100        2.00006       12.00031        2.00005
   14    5  200        1.74293       10.45784        1.74297
   15    5  210        2.23505       13.41362        2.23560
   16    6  100        2.00004        2.00003        2.00003
   17    6  200        1.13181        1.13186        1.13186
   18    6  210        2.95968        2.95971        2.95971
   19    7  100        2.00015        6.00049        2.00016
   20    7  200        1.13320        3.39938        1.13313
   21    7  210        2.70817        8.12399        2.70800
   22    8  100        2.00012       12.00072        2.00012
   23    8  200        1.12244        6.73487        1.12248
   24    8  210        2.94716       17.68298        2.94716
   25    9  100        2.00001        6.00004        2.00001
   26    9  200        1.39217        4.17599        1.39200
   27    9  210        2.64001        7.91733        2.63911
   28   10  100        2.00007       12.00039        2.00007
   29   10  200        1.74124       10.44756        1.74126
   30   10  210        2.23704       13.41894        2.23649



     M,D,TOLM =   31   0.588988-307   0.100000E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   1  RHO,RH,D,RHO,RH,DD = 0.120000E+03 0.120000E+03 0.266573E-03 0.458041E-09 0.458048E-09 0.155706E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   2  RHO,RH,D,RHO,RH,DD = 0.120250E+03 0.120250E+03 0.445798E-03 0.294636E-03 0.294647E-03 0.388379E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   3  RHO,RH,D,RHO,RH,DD = 0.120096E+03 0.120096E+03 0.293061E-03 0.203833E-07 0.203837E-07 0.186613E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   4  RHO,RH,D,RHO,RH,DD = 0.120962E+03 0.120963E+03 0.970885E-03 0.846133E-09 0.846362E-09 0.270512E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   5  RHO,RH,D,RHO,RH,DD = 0.122088E+03 0.122089E+03 0.522744E-03 0.650777E-09 0.650920E-09 0.219198E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   6  RHO,RH,D,RHO,RH,DD = 0.120112E+03 0.120112E+03 0.232554E-03 0.280984E+00 0.280981E+00 0.908304E-05


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   7  RHO,RH,D,RHO,RH,DD = 0.119887E+03 0.119887E+03 0.218634E-03 0.562935E-09 0.562910E-09 0.431857E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   8  RHO,RH,D,RHO,RH,DD = 0.119979E+03 0.119978E+03 0.318986E-03 0.270139E+00 0.270134E+00 0.168897E-04


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM   9  RHO,RH,D,RHO,RH,DD = 0.121182E+03 0.121181E+03 0.628118E-03 0.186900E-08 0.186844E-08 0.300249E-03


   DEVIATION OF CHARGE DISTRIBUTION 
  FOR ATOM  10  RHO,RH,D,RHO,RH,DD = 0.122083E+03 0.122084E+03 0.440829E-03 0.651702E-09 0.651569E-09 0.204236E-03



          *** M.O. EIGENVALUE 

                            (RY)         (HR)         (EV)

    1    1               -19.42642     -9.71321   -264.26782   2.00000
    2    2               -19.42627     -9.71314   -264.26589   2.00000
    3    3               -19.42614     -9.71307   -264.26403   2.00000
    4    4               -19.42608     -9.71304   -264.26321   2.00000
    5    5               -19.42598     -9.71299   -264.26190   2.00000
    6    6               -19.42593     -9.71296   -264.26119   2.00000
    7    7               -19.39450     -9.69725   -263.83371   2.00000
    8    8               -19.39191     -9.69596   -263.79844   2.00000
    9    9               -19.31894     -9.65947   -262.80584   2.00000
   10   10               -19.31893     -9.65946   -262.80561   2.00000
   11   11               -19.31885     -9.65942   -262.80449   2.00000
   12   12               -19.31884     -9.65942   -262.80446   2.00000
   13   13               -19.31884     -9.65942   -262.80436   2.00000
   14   14               -19.31875     -9.65938   -262.80324   2.00000
   15   15               -19.31805     -9.65902   -262.79362   2.00000
   16   16               -19.31797     -9.65899   -262.79261   2.00000
   17   17               -19.31794     -9.65897   -262.79220   2.00000
   18   18               -19.31793     -9.65897   -262.79208   2.00000
   19   19               -19.31793     -9.65896   -262.79198   2.00000
   20   20               -19.31791     -9.65896   -262.79181   2.00000
   21   21               -19.30733     -9.65367   -262.64790   2.00000
   22   22               -19.30732     -9.65366   -262.64774   2.00000
   23   23               -19.30732     -9.65366   -262.64770   2.00000
   24   24               -19.30730     -9.65365   -262.64740   2.00000
   25   25               -19.30726     -9.65363   -262.64696   2.00000
   26   26               -19.30722     -9.65361   -262.64635   2.00000
   27   27               -19.30647     -9.65323   -262.63610   2.00000
   28   28               -19.30637     -9.65318   -262.63473   2.00000
   29   29               -19.30634     -9.65317   -262.63434   2.00000
   30   30               -19.30634     -9.65317   -262.63432   2.00000
   31   31               -19.30631     -9.65316   -262.63401   2.00000
   32   32               -19.30629     -9.65314   -262.63367   2.00000
   33   33               -19.27296     -9.63648   -262.18029   2.00000
   34   34               -19.27279     -9.63639   -262.17791   2.00000
   35   35               -19.27270     -9.63635   -262.17671   2.00000
   36   36               -19.27202     -9.63601   -262.16757   2.00000
   37   37               -19.27191     -9.63596   -262.16603   2.00000
   38   38               -19.27188     -9.63594   -262.16553   2.00000
   39   39                -1.44187     -0.72094    -19.61457   2.00000
   40   40                -1.43082     -0.71541    -19.46422   2.00000
   41   41                -1.31795     -0.65897    -17.92872   2.00000
   42   42                -1.31649     -0.65824    -17.90888   2.00000
   43   43                -1.30780     -0.65390    -17.79076   2.00000
   44   44                -1.30641     -0.65320    -17.77173   2.00000
   45   45                -1.17560     -0.58780    -15.99224   2.00000
   46   46                -1.17486     -0.58743    -15.98219   2.00000
   47   47                -1.16635     -0.58318    -15.86652   2.00000
   48   48                -1.16553     -0.58276    -15.85528   2.00000
   49   49                -1.15649     -0.57824    -15.73229   2.00000
   50   50                -1.14708     -0.57354    -15.60434   2.00000
   51   51                -1.07012     -0.53506    -14.55742   2.00000
   52   52                -1.06121     -0.53061    -14.43626   2.00000
   53   53                -0.95927     -0.47964    -13.04946   2.00000
   54   54                -0.95852     -0.47926    -13.03919   2.00000
   55   55                -0.95277     -0.47639    -12.96104   2.00000
   56   56                -0.95193     -0.47596    -12.94959   2.00000
   57   57                -0.94003     -0.47002    -12.78777   2.00000
   58   58                -0.93254     -0.46627    -12.68589   2.00000
   59   59                -0.85310     -0.42655    -11.60517   2.00000
   60   60                -0.85144     -0.42572    -11.58262   2.00000
   61   61                -0.84759     -0.42379    -11.53021   2.00000
   62   62                -0.84603     -0.42302    -11.50902   2.00000
   63   63                -0.76571     -0.38286    -10.41642   2.00000
   64   64                -0.76003     -0.38002    -10.33915   2.00000
   65   65                -0.69730     -0.34865     -9.48579   2.00000
   66   66                -0.69677     -0.34838     -9.47849   2.00000
   67   67                -0.69241     -0.34621     -9.41928   2.00000
   68   68                -0.69173     -0.34587     -9.40999   2.00000
   69   69                -0.65756     -0.32878     -8.94519   2.00000
   70   70                -0.65342     -0.32671     -8.88878   2.00000
   71   71                -0.62102     -0.31051     -8.44803   2.00000
   72   72                -0.62029     -0.31015     -8.43815   2.00000
   73   73                -0.61758     -0.30879     -8.40133   2.00000
   74   74                -0.61677     -0.30838     -8.39022   2.00000
   75   75                -0.58239     -0.29119     -7.92254   2.00000
   76   76                -0.52813     -0.26407     -7.18449   2.00000
   77   77                -0.52276     -0.26138     -7.11144   2.00000
   78   78                -0.52216     -0.26108     -7.10322   2.00000
   79   79                -0.51904     -0.25952     -7.06078   2.00000
   80   80                -0.51844     -0.25922     -7.05265   2.00000
   81   81                -0.48411     -0.24206     -6.58561   2.00000
   82   82                -0.48114     -0.24057     -6.54522   2.00000
   83   83                -0.44716     -0.22358     -6.08299   2.00000
   84   84                -0.44661     -0.22330     -6.07542   2.00000
   85   85                -0.39878     -0.19939     -5.42481   2.00000
   86   86                -0.39851     -0.19926     -5.42117   2.00000
   87   87                -0.31832     -0.15916     -4.33023   2.00000
   88   88                -0.31679     -0.15839     -4.30941   2.00000
   89   89                -0.30936     -0.15468     -4.20837   2.00000
   90   90                -0.30877     -0.15439     -4.20041   2.00000
   91   91                -0.28802     -0.14401     -3.91807   2.00000
   92   92                -0.26990     -0.13495     -3.67162   2.00000
   93   93                -0.26968     -0.13484     -3.66861   2.00000
   94   94                -0.26754     -0.13377     -3.63944   2.00000
   95   95                -0.26702     -0.13351     -3.63244   2.00000
   96   96                -0.26612     -0.13306     -3.62018   2.00000
   97   97                -0.26598     -0.13299     -3.61826   2.00000
   98   98                -0.24711     -0.12355     -3.36151   2.00000
   99   99                -0.24177     -0.12088     -3.28889   2.00000
  100  100                -0.24116     -0.12058     -3.28057   2.00000
  101  101                -0.24007     -0.12004     -3.26586   2.00000
  102  102                -0.23960     -0.11980     -3.25935   2.00000
  103  103                -0.22442     -0.11221     -3.05293   2.00000
  104  104                -0.22242     -0.11121     -3.02572   2.00000
  105  105                -0.21162     -0.10581     -2.87873   2.00000
  106  106                -0.17357     -0.08678     -2.36113   2.00000
  107  107                -0.11489     -0.05745     -1.56293   2.00000
  108  108                -0.11318     -0.05659     -1.53967   2.00000
  109  109                -0.08403     -0.04201     -1.14306   2.00000
  110  110                -0.08051     -0.04025     -1.09518   2.00000
  111  111                -0.05821     -0.02911     -0.79193   2.00000
  112  112                -0.05723     -0.02861     -0.77851   2.00000
  113  113                -0.05514     -0.02757     -0.75013   2.00000
  114  114                -0.05312     -0.02656     -0.72267   2.00000
  115  115                -0.05266     -0.02633     -0.71639   0.00000
  116  116                -0.05226     -0.02613     -0.71093   0.00000
  117  117                -0.05160     -0.02580     -0.70190   0.00000
  118  118                -0.05116     -0.02558     -0.69590   0.00000
  119  119                -0.03855     -0.01928     -0.52445   0.00000
  120  120                -0.03770     -0.01885     -0.51281   0.00000
  121  121                -0.02796     -0.01398     -0.38029   0.00000
  122  122                -0.02691     -0.01345     -0.36604   0.00000
  123  123                -0.00134     -0.00067     -0.01817   0.00000
  124  124                 0.01217      0.00608      0.16549   0.00000
  125  125                 0.02962      0.01481      0.40292   0.00000
  126  126                 0.03050      0.01525      0.41489   0.00000
  127  127                 0.03849      0.01925      0.52361   0.00000
  128  128                 0.03950      0.01975      0.53741   0.00000
  129  129                 0.13992      0.06996      1.90335   0.00000
  130  130                 0.14075      0.07037      1.91469   0.00000
  131  131                 0.14206      0.07103      1.93251   0.00000
  132  132                 0.14294      0.07147      1.94446   0.00000
  133  133                 0.17061      0.08531      2.32092   0.00000
  134  134                 0.17252      0.08626      2.34687   0.00000
  135  135                 0.21481      0.10740      2.92212   0.00000
  136  136                 0.22707      0.11353      3.08893   0.00000
  137  137                 0.23481      0.11741      3.19425   0.00000
  138  138                 0.24948      0.12474      3.39386   0.00000
  139  139                 0.31271      0.15635      4.25391   0.00000
  140  140                 0.31308      0.15654      4.25904   0.00000
  141  141                 0.32564      0.16282      4.42989   0.00000
  142  142                 0.32600      0.16300      4.43474   0.00000
  143  143                 0.47325      0.23662      6.43786   0.00000
  144  144                 0.47351      0.23675      6.44138   0.00000
  145  145                 0.48598      0.24299      6.61103   0.00000
  146  146                 0.48636      0.24318      6.61621   0.00000
  147  147                 0.63022      0.31511      8.57323   0.00000
  148  148                 0.64061      0.32031      8.71457   0.00000
  149  149                 0.79375      0.39688     10.79786   0.00000
  150  150                 0.79487      0.39743     10.81302   0.00000
  151  151                 0.79648      0.39824     10.83495   0.00000
  152  152                 0.79762      0.39881     10.85044   0.00000
  153  153                 0.83633      0.41816     11.37700   0.00000
  154  154                 0.84144      0.42072     11.44650   0.00000
  155  155                 0.85503      0.42751     11.63141   0.00000
  156  156                 0.85580      0.42790     11.64184   0.00000
  157  157                 0.85633      0.42816     11.64908   0.00000
  158  158                 0.85710      0.42855     11.65957   0.00000
  159  159                 0.95836      0.47918     13.03702   0.00000
  160  160                 0.96177      0.48089     13.08349   0.00000
  161  161                 0.97741      0.48870     13.29620   0.00000
  162  162                 0.97875      0.48938     13.31448   0.00000
  163  163                 0.98006      0.49003     13.33224   0.00000
  164  164                 0.98150      0.49075     13.35186   0.00000
  165  165                 1.01017      0.50508     13.74186   0.00000
  166  166                 1.01372      0.50686     13.79012   0.00000
  167  167                 1.07129      0.53565     14.57335   0.00000
  168  168                 1.07228      0.53614     14.58680   0.00000
  169  169                 1.12973      0.56486     15.36826   0.00000
  170  170                 1.13158      0.56579     15.39343   0.00000
  171  171                 1.13205      0.56602     15.39987   0.00000
  172  172                 1.13377      0.56689     15.42331   0.00000
  173  173                 1.16556      0.58278     15.85570   0.00000
  174  174                 1.16667      0.58333     15.87079   0.00000
  175  175                 1.22765      0.61383     16.70042   0.00000
  176  176                 1.22845      0.61423     16.71126   0.00000
  177  177                 1.22931      0.61465     16.72290   0.00000
  178  178                 1.23073      0.61537     16.74233   0.00000
  179  179                 1.36467      0.68234     18.56439   0.00000
  180  180                 1.36603      0.68301     18.58278   0.00000
  181  181                 1.37307      0.68654     18.67865   0.00000
  182  182                 1.37337      0.68669     18.68269   0.00000
  183  183                 1.37497      0.68748     18.70444   0.00000
  184  184                 1.37538      0.68769     18.71003   0.00000
  185  185                 1.40120      0.70060     19.06125   0.00000
  186  186                 1.40356      0.70178     19.09336   0.00000
  187  187                 1.57573      0.78786     21.43545   0.00000
  188  188                 1.57603      0.78802     21.43963   0.00000
  189  189                 1.57648      0.78824     21.44575   0.00000
  190  190                 1.57808      0.78904     21.46744   0.00000
1


     *** D-V SCAT ITERATION START 
     IEND,ICYCLE,LITERN =    0    0    0
