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         ROOTHAAN-HARTREE-FOCK GROUND STATE ATOMIC WAVE FUNCTIONS

     Slater-type orbital expansions and expectation values for Z=2-54

     Reference: C.F.Bunge, J.A.Barrientos and A.V.Bunge,
                Atomic Data and Nuclear Data Tables 53,113-162(1993)

     Complementary reference:
                C.F.Bunge, J.A.Barrientos, A.V.Bunge and J.A.Cogordan,
                Phys. Rev. A46,3691-3696(1992).


HELIUM, Z=2    1s(2)  1S                                                    
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-2.861679993        2.861681613         -5.723361606        -1.999999434    
                                                                            
RHOat0 = 22.593709   Kato cusp = 1.999972                                   
                                                                            
                1s                                                          
ORB.ENERGY   -0.917955                                                      
           0.927272                                                      
        1.184820                                                      
<1/R>         1.687283                                                      
<1/R**2>      5.995503                                                      
                                                                            
1S   1.4595   1.347900                                                      
3S   5.3244  -0.001613                                                      
2S   2.6298  -0.100506                                                      
2S   1.7504  -0.270779                                                      
                                                                            
                                                                            
LITHIUM, Z=3    1s(2)2s(1)  2S                                              
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-7.432726924        7.432726876         -14.86545380        -2.000000007    
                                                                            
RHOat0 = 87.852850   Kato cusp = 2.000847                                   
                                                                            
                1s         2s                                               
ORB.ENERGY   -2.477741  -0.196323                                           
           0.573125   3.873661                                           
        0.446803  17.738419                                           
<1/R>         2.685034   0.345391                                           
<1/R**2>     14.888309   0.435420                                           
                                                                            
1S   4.3069   0.141279  -0.022416                                           
1S   2.4573   0.874231  -0.135791                                           
3S   6.7850  -0.005201   0.000389                                           
2S   7.4527  -0.002307  -0.000068                                           
2S   1.8504   0.006985  -0.076544                                           
2S   0.7667  -0.000305   0.340542                                           
2S   0.6364   0.000760   0.715708                                           
                                                                            
                                                                            
BERYLLIUM, Z=4    1s(2)2s(2)  1S                                            
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-14.57302313        14.57302427         -29.14604740        -1.999999922    
                                                                            
RHOat0 = 222.35057   Kato cusp = 2.000214                                   
                                                                            
                1s         2s                                               
ORB.ENERGY   -4.732669  -0.309269                                           
           0.414994   2.649396                                           
        0.232955   8.426147                                           
<1/R>         3.681877   0.522523                                           
<1/R**2>     27.753395   1.055640                                           
                                                                            
1S   5.7531   0.285107  -0.016378                                           
1S   3.7156   0.474813  -0.155066                                           
3S   9.9670  -0.001620   0.000426                                           
3S   3.7128   0.052852  -0.059234                                           
2S   4.4661   0.243499  -0.031925                                           
2S   1.2919   0.000106   0.387968                                           
2S   0.8555  -0.000032   0.685674                                           
                                                                              17
BORON, Z=5    1s(2)2s(2)2p(1)  2P                                           
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-24.52906069        24.52906021         -49.05812090        -2.000000020    
                                                                            
RHOat0 = 451.88988   Kato cusp = 1.999917                                   
                                                                            
                1s         2s                       2p                      
ORB.ENERGY   -7.695335  -0.494706   ORB.ENERGY   -0.309856                  
           0.325866   1.977064              2.204757                  
        0.143362   4.709128           6.146069                  
<1/R>         4.674339   0.712882   <1/R>         0.605006                  
<1/R**2>     44.538014   2.024473   <1/R**2>      0.529888                  
                                    <1/R**3>      0.775649                  
                                                                            
1S   7.0178   0.381607  -0.022549   2P   5.7416   0.007600                  
1S   3.9468   0.423958   0.321716   2P   2.6341   0.045137                  
3S  12.7297  -0.001316  -0.000452   2P   1.8340   0.184206                  
3S   2.7646  -0.000822  -0.072032   2P   1.1919   0.394754                  
2S   5.7420   0.237016  -0.050313   2P   0.8494   0.432795                  
2S   1.5436   0.001062  -0.484281                                           
2S   1.0802  -0.000137  -0.518986                                           
                                                                            
                                                                            
CARBON, Z=6    1s(2)2s(2)2p(2)  3P                                          
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-37.68861890        37.68861825         -75.37723715        -2.000000017    
                                                                            
RHOat0 = 800.79993   Kato cusp = 1.999509                                   
                                                                            
                1s         2s                       2p                      
ORB.ENERGY  -11.325519  -0.705627   ORB.ENERGY   -0.433341                  
           0.268443   1.589344              1.714495                  
        0.097199   3.052064           3.746800                  
<1/R>         5.664439   0.896798   <1/R>         0.783503                  
<1/R**2>     65.234157   3.255303   <1/R**2>      0.892066                  
                                    <1/R**3>      1.691945                  
                                                                            
1S   8.4936   0.352872  -0.071727   2P   7.0500   0.006977                  
1S   4.8788   0.473621   0.438307   2P   3.2275   0.070877                  
3S  15.4660  -0.001199  -0.000383   2P   2.1908   0.230802                  
2S   7.0500   0.210887  -0.091194   2P   1.4413   0.411931                  
2S   2.2640   0.000886  -0.393105   2P   1.0242   0.350701                  
2S   1.4747   0.000465  -0.579121                                           
2S   1.1639  -0.000119  -0.126067                                           
                                                                              18
NITROGEN, Z=7    1s(2)2s(2)2p(3)  4S                                        
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-54.40093415        54.40093494         -108.8018691        -1.999999985    
                                                                            
RHOat0 = 1294.1163   Kato cusp = 1.999832                                   
                                                                            
                1s         2s                       2p                      
ORB.ENERGY  -15.629060  -0.945324   ORB.ENERGY   -0.567589                  
           0.228297   1.332277              1.409631                  
        0.070265   2.149438           2.547642                  
<1/R>         6.653236   1.078176   <1/R>         0.957690                  
<1/R**2>     89.841896   4.753583   <1/R**2>      1.336287                  
                                    <1/R**3>      3.099879                  
                                                                            
1S   9.9051   0.354839  -0.067498   2P   8.3490   0.006323                  
1S   5.7429   0.472579   0.434142   2P   3.8827   0.082938                  
3S  17.9816  -0.001038  -0.000315   2P   2.5920   0.260147                  
2S   8.3087   0.208492  -0.080331   2P   1.6946   0.418361                  
2S   2.7611   0.001687  -0.374128   2P   1.1914   0.308272                  
2S   1.8223   0.000206  -0.522775                                           
2S   1.4191   0.000064  -0.207735                                           
                                                                            
                                                                            
OXYGEN, Z=8    1s(2)2s(2)2p(4)  3P                                          
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-74.80939840        74.80940128         -149.6187997        -1.999999961    
                                                                            
RHOat0 = 1958.2230   Kato cusp = 1.999979                                   
                                                                            
                1s         2s                       2p                      
ORB.ENERGY  -20.668657  -1.244315   ORB.ENERGY   -0.631906                  
           0.198589   1.141964              1.232198                  
        0.053146   1.581223           1.974976                  
<1/R>         7.642171   1.265272   <1/R>         1.111111                  
<1/R**2>    118.382497   6.591548   <1/R**2>      1.818717                  
                                    <1/R**3>      4.974380                  
                                                                            
1S  11.2970   0.360063  -0.064363   2P   9.6471   0.005626                  
1S   6.5966   0.466625   0.433186   2P   4.3323   0.126618                  
3S  20.5019  -0.000918  -0.000275   2P   2.7502   0.328966                  
2S   9.5546   0.208441  -0.072497   2P   1.7525   0.395422                  
2S   3.2482   0.002018  -0.369900   2P   1.2473   0.231788                  
2S   2.1608   0.000216  -0.512627                                           
2S   1.6411   0.000133  -0.227421                                           
                                                                              19
FLUORINE, Z=9    1s(2)2s(2)2p(5)  2P                                        
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-99.40934928        99.40935019         -198.8186995        -1.999999991    
                                                                            
RHOat0 = 2816.8876   Kato cusp = 1.999963                                   
                                                                            
                1s         2s                        2p                     
ORB.ENERGY  -26.382760  -1.572535   ORB.ENERGY   -0.730018                  
           0.175747   1.001094              1.084786                  
        0.041612   1.216565           1.543524                  
<1/R>         8.630362   1.449751   <1/R>         1.271674                  
<1/R**2>    150.834051   8.697213   <1/R**2>      2.394771                  
                                    <1/R**3>      7.545578                  
                                                                            
1S  12.6074   0.377498  -0.058489   2P  11.0134   0.004879                  
1S   7.4101   0.443947   0.426450   2P   4.9962   0.130794                  
3S  23.2475  -0.000797  -0.000274   2P   3.1540   0.337876                  
2S  10.7416   0.213846  -0.063457   2P   1.9722   0.396122                  
2S   3.7543   0.002183  -0.358939   2P   1.3632   0.225374                  
2S   2.5009   0.000335  -0.516660                                           
2S   1.8577   0.000147  -0.239143                                           
                                                                            
                                                                            
NEON, Z=10    1s(2)2s(2)2p(6)  1S                                           
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-128.5470980        128.5471001         -257.0941980        -1.999999984    
                                                                            
RHOat0 = 3895.0667   Kato cusp = 1.999933                                   
                                                                            
                1s         2s                       2p                      
ORB.ENERGY  -32.772442  -1.930391   ORB.ENERGY   -0.850410                  
           0.157631   0.892113              0.965273                  
        0.033470   0.967082           1.228454                  
<1/R>         9.618054   1.632554   <1/R>         1.435350                  
<1/R**2>    187.196960  11.071475   <1/R**2>      3.058859                  
                                    <1/R**3>     10.906781                  
                                                                            
1S  13.9074   0.392290  -0.053023   2P  12.3239   0.004391                  
1S   8.2187   0.425817   0.419502   2P   5.6525   0.133955                  
3S  26.0325  -0.000702  -0.000263   2P   3.5570   0.342978                  
2S  11.9249   0.217206  -0.055723   2P   2.2056   0.395742                  
2S   4.2635   0.002300  -0.349457   2P   1.4948   0.221831                  
2S   2.8357   0.000463  -0.523070                                           
2S   2.0715   0.000147  -0.246038                                           
                                                                              20
SODIUM, Z=11    [Ne]3s(1)  2S                                               
                                                                              
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-161.8589113        161.8589125         -323.7178237        -1.999999993    
                                                                              
RHOat0 = 5241.9865   Kato cusp = 2.000003                                   
                                                                              
                1s         2s         3s                       2p    
ORB.ENERGY  -40.478500  -2.797026  -0.182102   ORB.ENERGY   -1.518140
           0.142858   0.779068   4.208762              0.798485
        0.027481   0.731495  20.704809           0.822132
<1/R>        10.607384   1.867338   0.301399   <1/R>         1.696598
<1/R**2>    227.533756  14.453227   0.398424   <1/R**2>      4.187710
                                               <1/R**3>     17.005671
1S  15.3319   0.387167   0.053722   0.011568                            
1S   9.0902   0.434278  -0.430794  -0.072430   2P  13.6175   0.004308
2S  13.2013   0.213027   0.053654   0.011164   2P   6.2193   0.157824
2S   4.7444   0.002205   0.347971   0.057679   2P   3.8380   0.388545
2S   3.1516   0.000627   0.608890   0.089837   2P   2.3633   0.489339
2S   2.4047  -0.000044   0.157462   0.042114   2P   1.5319   0.039759
3S  28.4273  -0.000649   0.000280  -0.000001                          
3S   1.3179   0.000026  -0.000492  -0.182627                          
3S   0.8911  -0.000023   0.000457  -0.471631                          
3S   0.6679   0.000008   0.000016  -0.408817                          


MAGNESIUM, Z=12    [Ne]3s(2)  1S                                            
                                                                              
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-199.6146361        199.6146406         -399.2292767        -1.999999978    
                                                                              
RHOat0 = 6872.1659   Kato cusp = 2.000211                                   
                                                                              
                1s         2s         3s                       2p    
ORB.ENERGY  -49.031735  -3.767721  -0.253052   ORB.ENERGY   -2.282225
           0.130594   0.690335   3.252938              0.684998
        0.022956   0.571084  12.418454           0.597695
<1/R>        11.597954   2.107821   0.399388   <1/R>         1.951690
<1/R**2>    271.847496  18.382421   0.788544   <1/R**2>      5.469817
                                               <1/R**3>     24.921147
1S  17.0241   0.352464   0.059265   0.016053                            
1S  10.0727   0.481225  -0.447481  -0.096426   2P  14.9021   0.004178
2S  14.6751   0.198592   0.055907   0.014785   2P   6.8076   0.175692
2S   5.1514   0.002259   0.355163   0.077390   2P   4.1426   0.420054
2S   3.4870   0.000556   0.696633   0.110979   2P   2.7152   0.456246
2S   2.5249  -0.000136   0.058440   0.082870   2P   1.4623   0.012155
3S  29.9018  -0.000669   0.000283   0.000010                         
3S   1.7568   0.000056  -0.001173  -0.232777                         
3S   1.1659  -0.000033   0.000277  -0.494745                          
3S   0.8244   0.000011  -0.000059  -0.378869                          
                                                                              21
ALUMINIUM, Z=13    [Ne]3s(2)3p(1)  2P                                          
                                                                               
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO       
-241.8767070        241.8767064         -483.7534134        -2.000000003       
                                                                               
RHOat0 = 8814.3490   Kato cusp = 2.000007                                      
                                                                               
                1s         2s         3s                       2p         3p    
ORB.ENERGY  -58.501026  -4.910672  -0.393420   ORB.ENERGY   -3.218303  -0.209951
           0.120258   0.620026   2.599278              0.600543   3.433889
        0.019459   0.458897   7.890667           0.455357  14.006188
<1/R>        12.589248   2.349007   0.506786   <1/R>         2.205108   0.379283
<1/R**2>    320.129355  22.797434   1.359520   <1/R**2>      6.915864   0.310543
                                               <1/R**3>     34.939997   1.088227
1S  18.1792   0.373865   0.061165   0.020024                                    
1S  10.8835   0.456146  -0.460373  -0.119051   2P  14.4976   0.015480  -0.001690
2S  15.7593   0.202560   0.055062   0.017451   2P   6.6568   0.204774  -0.048903
2S   5.7600   0.001901   0.297052   0.079185   2P   4.2183   0.474317  -0.058101
2S   4.0085   0.000823   0.750997   0.130917   2P   3.0026   0.339646  -0.090680
2S   2.8676  -0.000267   0.064079   0.139113   3P  11.0822   0.024290  -0.001445
3S  33.5797  -0.000560   0.000270   0.000038   3P   1.6784   0.003529   0.234760
3S   2.1106   0.000083  -0.001972  -0.303750   3P   1.0788  -0.000204   0.496072
3S   1.3998  -0.000044   0.000614  -0.547941   3P   0.7494   0.000199   0.359277
3S   1.0003   0.000013  -0.000064  -0.285949                                   


SILICON, Z=14    [Ne]3s(2)3p(2)  3P                                            
                                                                               
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO       
-288.8543622        288.8543624         -577.7087246        -1.999999999       
                                                                               
RHOat0 = 11093.598   Kato cusp = 1.999953                                      
                                                                               
                1s         2s         3s                       2p         3p    
ORB.ENERGY  -68.812456  -6.156538  -0.539842   ORB.ENERGY   -4.256054  -0.297114
           0.111431   0.562941   2.207085              0.535408   2.752216
        0.016701   0.377257   5.676239           0.359681   8.980888
<1/R>        13.581150   2.590401   0.603231   <1/R>         2.456382   0.478031
<1/R**2>    372.382095  27.691054   1.997988   <1/R**2>      8.520346   0.501188
                                               <1/R**3>     47.269455   2.053873
1S  19.5017   0.377006   0.064222   0.023528                                    
1S  11.7539   0.454461  -0.472631  -0.136207   2P  15.7304   0.015661  -0.001966
2S  16.9664   0.200676   0.055383   0.019663   2P   7.2926   0.196557  -0.057175
2S   6.3693   0.001490   0.233799   0.074362   2P   4.6514   0.510448  -0.068127
2S   4.5748   0.001201   0.781919   0.122580   2P   3.3983   0.303956  -0.114298
2S   3.3712  -0.000454   0.096627   0.206180   3P  12.0786   0.025586  -0.001976
3S  36.5764  -0.000507   0.000257   0.000048   3P   2.0349   0.003153   0.263703
3S   2.4996   0.000103  -0.001832  -0.319063   3P   1.3221   0.000167   0.522698
3S   1.6627  -0.000053   0.000879  -0.562578   3P   0.9143   0.000156   0.314467
3S   1.1812   0.000013  -0.000033  -0.280471                                   
                                                                              22
PHOSPHORUS, Z=15    [Ne]3s(2)3p(3)  4S                                         
                                                                               
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO       
-340.7187806        340.7187797         -681.4375603        -2.000000003       
                                                                               
RHOat0 = 13736.907   Kato cusp = 1.999907                                      
                                                                               
                1s         2s         3s                       2p         3p    
ORB.ENERGY  -79.969714  -7.511095  -0.696416   ORB.ENERGY   -5.400958  -0.391708
           0.103805   0.515660   1.932685              0.483401   2.322712
        0.014488   0.315921   4.347087           0.291798   6.389634
<1/R>        14.573553   2.831708   0.694730   <1/R>         2.706271   0.570153
<1/R**2>    428.606263  33.056704   2.712832   <1/R**2>     10.284011   0.715755
                                               <1/R**3>     62.146721   3.311089
1S  20.8264   0.378728   0.067068   0.026409                                    
1S  12.6329   0.454633  -0.483053  -0.149611   2P  20.2974   0.000934   0.000893
2S  18.1768   0.198318   0.055573   0.021237   2P   9.3161   0.158097  -0.048486
2S   6.9865   0.001102   0.172637   0.065512   2P   5.5199   0.499724  -0.088168
2S   5.1340   0.001500   0.826915   0.119933   2P   3.9517   0.389661  -0.136009
2S   3.7311  -0.000594   0.114274   0.273929   3P  15.5633  -0.004175   0.004247
3S  39.5397  -0.000464   0.000249   0.000057   3P   2.2826   0.003823   0.325638
3S   2.9558   0.000130  -0.003280  -0.321673   3P   1.4968  -0.000307   0.522331
3S   1.9407  -0.000057   0.001381  -0.583392   3P   1.0527   0.000144   0.255540
3S   1.3616   0.000011  -0.000023  -0.293770                                   


SULFUR, Z=16    [Ne]3s(2)3p(4)  3P                                             
                                                                               
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO       
-397.5048955        397.5048994         -795.0097949        -1.999999990       
                                                                               
RHOat0 = 16772.672   Kato cusp = 1.999916                                      
                                                                               
                1s         2s         3s                       2p         3p    
ORB.ENERGY  -92.004449  -9.004288  -0.879527   ORB.ENERGY   -6.682508  -0.437368
           0.097151   0.475772   1.720722              0.441042   2.060717
        0.012686   0.268530   3.443200           0.242088   5.065187
<1/R>        15.566448   3.073197   0.786103   <1/R>         2.954448   0.650667
<1/R**2>    488.806411  38.899462   3.534613   <1/R**2>     12.202777   0.941922
                                               <1/R**3>     79.777512   4.839939
1S  22.2949   0.367468   0.070509   0.028833                                    
1S  13.5666   0.471254  -0.492518  -0.160596   2P  22.6414  -0.000466   0.001263
2S  19.4969   0.192030   0.056472   0.022476   2P  10.4197   0.141231  -0.047039
2S   7.5145   0.000539   0.114779   0.056607   2P   6.1160   0.501894  -0.090305
2S   5.7222   0.002074   0.846899   0.107272   2P   4.4156   0.403324  -0.159888
2S   4.2264  -0.000864   0.150553   0.326955   3P  17.3448  -0.006509   0.005017
3S  42.1787  -0.000442   0.000233   0.000067   3P   2.6496   0.004375   0.341230
3S   3.3088   0.000163  -0.002483  -0.337632   3P   1.6975   0.000225   0.519259
3S   2.1707  -0.000073   0.001580  -0.602710   3P   1.1477   0.000315   0.262504
3S   1.5140   0.000014   0.000045  -0.272978                                   
                                                                              23
CHLORINE, Z=17    [Ne]3s(2)3p(5)  2P                                           
                                                                               
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO       
-459.4820719        459.4820743         -918.9641462        -1.999999995       
                                                                               
RHOat0 = 20226.726   Kato cusp = 1.999961                                      
                                                                               
                1s         2s         3s                       2p         3p    
ORB.ENERGY -104.884420 -10.607480  -1.072912   ORB.ENERGY   -8.072227  -0.506400
           0.091295   0.441714   1.555630              0.405715   1.842024
        0.011200   0.231193   2.812958           0.204326   4.059178
<1/R>        16.559692   3.314397   0.874884   <1/R>         3.201537   0.733287
<1/R**2>    552.979453  45.207640   4.434507   <1/R**2>     14.277874   1.201129
                                               <1/R**3>    100.397663   6.768657
1S  23.7918   0.357615   0.072699   0.032061                                    
1S  14.4872   0.484997  -0.499909  -0.172436   2P  24.4396  -0.001409   0.001525
2S  20.8326   0.187615   0.056841   0.024503   2P  11.4909   0.129060  -0.045154
2S   9.4342  -0.000352   0.013158   0.018179   2P   6.6724   0.511775  -0.095725
2S   6.4160   0.002796   0.883708   0.140693   2P   4.8559   0.404231  -0.176763
2S   4.7671  -0.001073   0.214427   0.342425   3P  18.9808  -0.007959   0.005308
3S  44.4484  -0.000427   0.000223   0.000064   3P   2.9926   0.004770   0.354699
3S   3.5704   0.000168  -0.001859  -0.353160   3P   1.8970   0.000703   0.523394
3S   2.3743  -0.000089   0.002000  -0.600895   3P   1.2586   0.000479   0.257066
3S   1.6610   0.000017   0.000024  -0.254301                                   


ARGON, Z=18    [Ne]3s(2)3p(6)  1S                                              
                                                                               
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO       
-526.8175122        526.8175160         -1053.635028        -1.999999993       
                                                                               
RHOat0 = 24125.995   Kato cusp = 1.999967                                      
                                                                               
                1s         2s         3s                       2p         3p    
ORB.ENERGY -118.610349 -12.322152  -1.277352   ORB.ENERGY   -9.571464  -0.591016
           0.086104   0.412280   1.422172              0.375330   1.662954
        0.009960   0.201226   2.350427           0.174342   3.310795
<1/R>        17.553229   3.555317   0.961985   <1/R>         3.449989   0.814074
<1/R**2>    621.125483  51.979437   5.414514   <1/R**2>     16.525595   1.473630
                                               <1/R**3>    124.380679   8.974675
1S  25.5708   0.316405   0.079148   0.035512                                    
1S  15.6262   0.542760  -0.507823  -0.181267   2P  26.6358   0.002436   0.001854
2S  22.3994   0.167691   0.059900   0.026500   2P  12.7337  -0.114774  -0.042064
2S  10.5300   0.000408  -0.026389   0.006280   2P   7.3041  -0.503175  -0.095603
2S   7.0534   0.002431   0.832638   0.111836   2P   5.3353  -0.427033  -0.194233
2S   5.4120  -0.000861   0.295522   0.385604   3P  20.7765   0.009669   0.005891
3S  46.7052  -0.000422   0.000217   0.000070   3P   3.3171  -0.004825   0.366141
3S   3.7982   0.000066   0.002203  -0.376901   3P   2.0947   0.000231   0.526490
3S   2.5495  -0.000061   0.001423  -0.593561   3P   1.3780  -0.000098   0.249866
3S   1.7965   0.000009   0.000186  -0.229971                                   
                                                                              24
POTASSIUM, Z=19    [Ar]4s(1)  2S                                            
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-599.1647831        599.1647844         -1198.329567        -1.999999998    
                                                                            
RHOat0 = 28528.062   Kato cusp = 2.002065                                   
                                                                            
                1s         2s         3s         4s               
ORB.ENERGY -133.533046 -14.489955  -1.748779  -0.147475           
           0.081466   0.386389   1.277058   5.243652           
        0.008913   0.176593   1.883466  31.542823           
<1/R>        18.547363   3.797705   1.074858   0.236590           
<1/R**2>    693.279202  59.265263   6.818406   0.295293           
                                                                  
1S  16.9317   1.160058  -0.333245  -0.109835   0.021207           
2S  23.6708  -0.107236  -0.019653  -0.009458   0.001900           
2S   6.7720   0.001693   1.155997   0.451036  -0.088672           
3S  20.5358  -0.079291  -0.033718  -0.016074   0.003193           
3S   4.0061  -0.000214   0.018576  -0.397462   0.092956           
3S   2.4110  -0.000052   0.002574  -0.569061   0.106797           
4S   8.4209  -0.000393  -0.079850   0.037800  -0.009891           
4S   3.7899   0.000116  -0.007017  -0.187652   0.045670           
4S   1.4301   0.000008  -0.000286  -0.007578  -0.168271           
4S   0.9450  -0.000005   0.000178   0.001939  -0.520283           
4S   0.6607   0.000002  -0.000064  -0.000781  -0.402360           
                                                                  
                2p         3p                                     
ORB.ENERGY  -11.519278  -0.954422                                 
           0.349427   1.436846                                 
        0.150801   2.440647                                 
<1/R>         3.697028   0.939014                                 
<1/R**2>     18.926828   1.946475                                 
<1/R**3>    151.814137  12.954567                                 
                                                                  
2P  26.2044   0.001861   0.000437                                 
2P  11.1009   0.366438   0.078509                                 
2P   5.6095   0.380621   0.398893                                 
2P   2.4374   0.002983  -0.769498                                 
3P   8.7158   0.311226   0.016842                                 
3P   1.9702  -0.000488  -0.404117                                 
3P   1.3184   0.000071  -0.039862                                 
                                                                              25
CALCIUM, Z=20    [Ar]4s(2)  1S                                              
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-676.7581817        676.7581767         -1353.516358        -2.000000007    
                                                                            
RHOat0 = 33430.819   Kato cusp = 2.001880                                   
                                                                            
                1s         2s         3s         4s               
ORB.ENERGY -149.363724 -16.822743  -2.245375  -0.195529           
           0.077301   0.363504   1.159424   4.218469           
        0.008023   0.156172   1.546005  20.453178           
<1/R>        19.541934   4.040857   1.188772   0.299738           
<1/R**2>    769.407364  67.045590   8.399576   0.535034           
                                                                  
1S  17.6670   1.176575  -0.341543  -0.117803   0.028125           
2S  24.5295  -0.119414  -0.019904  -0.010168   0.002534           
2S   7.2525   0.000730   1.150570   0.468206  -0.113880           
3S  21.3493  -0.086509  -0.033142  -0.016715   0.004109           
3S   3.6185   0.000185  -0.000762  -0.640251   0.179379           
3S   2.6126  -0.000097   0.001467  -0.441778   0.115506           
4S   8.7808   0.000145  -0.068959   0.043103  -0.014022           
4S   6.0113  -0.000317   0.016219  -0.064309   0.020813           
4S   1.5770   0.000021  -0.000184  -0.001947  -0.331747           
4S   1.0566  -0.000015   0.000124   0.000314  -0.522462           
4S   0.7584   0.000005  -0.000044  -0.000058  -0.257798           
                                                                  
                2p         3p                                     
ORB.ENERGY  -13.629270  -1.340706                                 
           0.326869   1.274550                                 
        0.131725   1.908061                                 
<1/R>         3.944088   1.058811                                 
<1/R**2>     21.491321   2.462364                                 
<1/R**3>    183.014479  17.738971                                 
                                                                  
2P  28.8909   0.001400  -0.000342                                 
2P  11.9319   0.348898  -0.076856                                 
2P   6.0967   0.406540  -0.433592                                 
2P   2.5605   0.003420   0.877080                                 
3P   9.4272   0.300142  -0.015449                                 
3P   2.1782  -0.000861   0.312083                                 
3P   1.3295   0.000083   0.020164                                 
                                                                              26
SCANDIUM, Z=21    [Ar]3d(1)4s(2)  2D                                        
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-759.7357123        759.7356951         -1519.471407        -2.000000023    
                                                                            
RHOat0 = 38852.665   Kato cusp = 2.001901                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -165.899895 -19.080617  -2.567322  -0.210108                     
           0.073535   0.343178   1.079391   3.959716                     
        0.007259   0.139111   1.339906  18.070522                     
<1/R>        20.537537   4.284364   1.281937   0.320317                     
<1/R**2>    849.570335  75.317010   9.816080   0.617022                     
                                                                            
1S  21.7237   0.929286  -0.272325  -0.095941   0.022762                     
2S  18.5964   0.076816  -0.165926  -0.066543   0.016069                     
2S   8.5331   0.001804   1.008339   0.413734  -0.100051                     
3S  26.6635   0.010320  -0.001551  -0.001264   0.000291                     
3S   6.3629   0.000323   0.085949   0.116177  -0.031040                     
3S   4.4087  -0.000281  -0.006473  -0.567549   0.162661                     
3S   2.9836   0.000073   0.002830  -0.638451   0.169417                     
4S  10.0558  -0.000626   0.066049   0.079945  -0.022175                     
4S   1.7339  -0.000024  -0.000346  -0.008505  -0.303304                     
4S   1.1548   0.000018   0.000234   0.002704  -0.526693                     
4S   0.8074  -0.000007  -0.000082  -0.000727  -0.286745                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -15.668246  -1.574546   ORB.ENERGY   -0.343712                  
           0.307067   1.174391              1.675431                  
        0.116092   1.619875           3.634183                  
<1/R>         4.191507   1.152125   <1/R>         0.798980                  
<1/R**2>     24.224866   2.911805   <1/R**2>      0.886337                  
<1/R**3>    218.317138  22.409699   <1/R**3>      1.429405                  
                                                                            
2P  31.2091   0.001156  -0.000287   3D   9.8549   0.015123                  
2P  12.6896   0.341553  -0.074761   3D   4.8498   0.159653                  
2P   6.5469   0.415271  -0.457411   3D   2.9200   0.359860                  
2P   2.7945   0.003830   0.888499   3D   1.7389   0.434880                  
3P  10.0778   0.296715  -0.013956   3D   1.0594   0.199419                  
3P   2.3661  -0.000849   0.311816                                           
3P   1.4540   0.000109   0.021060                                           
                                                                              27
TITANIUM, Z=22    [Ar]3d(2)4s(2)  3F                                        
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-848.4059907        848.4059678         -1696.811958        -2.000000027    
                                                                            
RHOat0 = 44828.283   Kato cusp = 2.001810                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -183.272754 -21.422910  -2.873395  -0.220787                     
           0.070116   0.325038   1.013029   3.778855                     
        0.006598   0.124734   1.180623  16.500594                     
<1/R>        21.533643   4.527617   1.370325   0.336131                     
<1/R**2>    933.739186  84.056728  11.258644   0.679622                     
                                                                            
1S  22.7314   0.931729  -0.275337  -0.098438   0.022864                     
2S  19.4596   0.074430  -0.169269  -0.069318   0.016391                     
2S   8.9861   0.001498   1.018751   0.426684  -0.101044                     
3S  27.9364   0.009843  -0.001341  -0.001204   0.000273                     
3S   6.6279   0.000199   0.082054   0.113142  -0.030640                     
3S   4.6765  -0.000228  -0.007982  -0.591312   0.167643                     
3S   3.1621   0.000055   0.003062  -0.621860   0.159930                     
4S  10.6755  -0.000431   0.063448   0.084353  -0.022705                     
4S   1.8546  -0.000019  -0.000370  -0.008255  -0.292090                     
4S   1.2210   0.000013   0.000236   0.002364  -0.531732                     
4S   0.8395  -0.000005  -0.000081  -0.000615  -0.295994                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -17.791186  -1.795085   ORB.ENERGY   -0.440655                  
           0.289587   1.093772              1.459746                  
        0.103139   1.405774           2.737442                  
<1/R>         4.438401   1.239883   <1/R>         0.907419                  
<1/R**2>     27.117452   3.369362   <1/R**2>      1.129237                  
<1/R**3>    257.845159  27.542913   <1/R**3>      2.016343                  
                                                                            
2P  33.3883   0.000991   0.000249   3D  10.4755   0.016004                  
2P  13.4246   0.337047   0.073107   3D   5.2370   0.172840                  
2P   6.9860   0.419748   0.475457   3D   3.1849   0.375781                  
2P   3.0695   0.004328  -0.866201   3D   1.9290   0.424201                  
3P  10.7125   0.294936   0.013483   3D   1.1952   0.170623                  
3P   2.5803  -0.000789  -0.343747                                           
3P   1.6116   0.000126  -0.025352                                           
                                                                              28
VANADIUM, Z=23    [Ar]3d(3)4s(2)  4F                                        
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-942.8843308        942.8842963         -1885.768627        -2.000000037    
                                                                            
RHOat0 = 51386.879   Kato cusp = 2.001712                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -201.502829 -23.874650  -3.183183  -0.230578                     
           0.067000   0.308744   0.955586   3.626288                     
        0.006023   0.112497   1.050952  15.232270                     
<1/R>        22.530118   4.770636   1.456687   0.350652                     
<1/R**2>   1021.909309  93.265045  12.761267   0.738393                     
                                                                            
1S  23.7265   0.934724  -0.278303  -0.100645   0.022861                     
2S  20.2915   0.071260  -0.173527  -0.072332   0.016726                     
2S   9.4802   0.001198   1.022901   0.435733  -0.100913                     
3S  29.1499   0.009527  -0.001124  -0.001135   0.000256                     
3S   6.9463   0.000121   0.080937   0.102976  -0.028627                     
3S   4.9127  -0.000187  -0.008467  -0.611858   0.172058                     
3S   3.3257   0.000044   0.003140  -0.599875   0.147853                     
4S  11.2844  -0.000270   0.065688   0.090418  -0.023449                     
4S   1.9549  -0.000015  -0.000372  -0.007592  -0.291512                     
4S   1.2721   0.000011   0.000230   0.002016  -0.534471                     
4S   0.8656  -0.000004  -0.000078  -0.000520  -0.295890                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -20.022490  -2.019223   ORB.ENERGY   -0.509619                  
           0.274031   1.025157              1.323232                  
        0.092273   1.235619           2.247763                  
<1/R>         4.684842   1.325483   <1/R>         0.998468                  
<1/R**2>     30.168656   3.847820   <1/R**2>      1.361091                  
<1/R**3>    301.826879  33.272118   <1/R**3>      2.645475                  
                                                                            
2P  35.8086   0.000832   0.000208   3D  10.9640   0.017413                  
2P  14.1832   0.330153   0.070957   3D   5.5057   0.198643                  
2P   7.4366   0.429318   0.488333   3D   3.3114   0.404320                  
2P   3.2971   0.004908  -0.867911   3D   2.0094   0.399309                  
3P  11.3721   0.290389   0.013393   3D   1.2637   0.137710                  
3P   2.7500  -0.000823  -0.348957                                           
3P   1.7235   0.000157  -0.025660                                           
                                                                              29
CHROMIUM, Z=24    [Ar]3d(5)4s(1)  7S                                        
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1043.356368        1043.356356         -2086.712724        -2.000000011    
                                                                            
RHOat0 = 58544.339   Kato cusp = 2.001644                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -220.386394 -26.209624  -3.285149  -0.222046                     
           0.064146   0.294014   0.912445   3.675012                     
        0.005520   0.101988   0.960479  15.719869                     
<1/R>        23.527254   5.013676   1.529583   0.346492                     
<1/R**2>   1114.107459 102.950459  14.107917   0.712154                     
                                                                            
1S  24.7292   0.937075   0.280906  -0.101688  -0.021485                     
2S  21.1386   0.068919   0.177565  -0.074243  -0.015920                     
2S   9.9971   0.000859  -1.021993   0.436116   0.093634                     
3S  30.4212   0.009143   0.001001  -0.001037  -0.000219                     
3S   7.3629   0.000019  -0.083861   0.108518   0.031754                     
3S   5.1830  -0.000126   0.007943  -0.632268  -0.170396                     
3S   3.4391   0.000025  -0.003056  -0.583503  -0.128499                     
4S  11.9538  -0.000067  -0.068373   0.090243   0.020770                     
4S   2.1124  -0.000010   0.000328  -0.011065   0.225866                     
4S   1.3241   0.000006  -0.000305   0.002196   0.541426                     
4S   0.8703  -0.000002   0.000000  -0.000417   0.358079                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -22.139845  -2.050921   ORB.ENERGY   -0.373597                  
           0.260079   0.977756              1.367969                  
        0.083058   1.128508           2.505590                  
<1/R>         4.931331   1.394535   <1/R>         1.003726                  
<1/R**2>     33.384703   4.266269   <1/R**2>      1.415314                  
<1/R**3>    350.594041  38.785815   <1/R**3>      2.893424                  
                                                                            
2P  37.4230   0.000786   0.000199   3D  11.4813   0.016904                  
2P  14.8415   0.333715   0.070569   3D   5.8159   0.198001                  
2P   7.8404   0.420845   0.496567   3D   3.4526   0.403137                  
2P   3.6199   0.005346  -0.823061   3D   1.9741   0.392975                  
3P  11.9471   0.294186   0.014369   3D   1.1473   0.182481                  
3P   2.9491  -0.000612  -0.389092                                           
3P   1.9545   0.000251  -0.049588                                           
                                                                              30
MANGANESE, Z=25    [Ar]3d(5)4s(2)                                           
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1149.866243        1149.866199         -2299.732442        -2.000000038    
                                                                            
RHOat0 = 66362.197   Kato cusp = 2.001568                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -240.533986 -29.109469  -3.816640  -0.247867                     
           0.061527   0.280660   0.860445   3.381917                     
        0.005077   0.092907   0.852852  13.308367                     
<1/R>        24.523973   5.256006   1.624910   0.376551                     
<1/R**2>   1210.253676 113.083563  15.952716   0.845322                     
                                                                            
1S  25.6998   0.940989  -0.283798   0.104332   0.022617                     
2S  21.8567   0.064731  -0.187870   0.079962   0.017628                     
2S  10.7524   0.000286   0.993354  -0.430390  -0.094991                     
3S  31.6095   0.008989  -0.000781   0.000892   0.000191                     
3S   7.9533  -0.000098   0.100053  -0.116416  -0.031656                     
3S   5.4792  -0.000071  -0.007203   0.619299   0.167891                     
3S   3.6809   0.000007   0.003047   0.596542   0.138100                     
4S  12.6273   0.000257   0.096877  -0.102035  -0.024434                     
4S   2.1701  -0.000006  -0.000357   0.008247  -0.272491                     
4S   1.3884   0.000004   0.000212  -0.002062  -0.538366                     
4S   0.9204  -0.000001  -0.000071   0.000527  -0.315216                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -24.812585  -2.479526   ORB.ENERGY   -0.638843                  
           0.247530   0.913715              1.130052                  
        0.075182   0.982773           1.640618                  
<1/R>         5.176571   1.491987   <1/R>         1.167041                  
<1/R**2>     36.746089   4.869761   <1/R**2>      1.850666                  
<1/R**3>    404.076937  46.651894   <1/R**3>      4.152144                  
                                                                            
2P  39.7636   0.000680   0.000175   3D  12.1103   0.018122                  
2P  15.5794   0.329684   0.070131   3D   6.2285   0.214643                  
2P   8.2726   0.425128   0.510669   3D   3.7645   0.417697                  
2P   3.9144   0.005727  -0.801936   3D   2.2778   0.384751                  
3P  12.5884   0.292622   0.015885   3D   1.4273   0.120919                  
3P   3.2243  -0.000552  -0.422222                                           
3P   2.1059   0.000178  -0.044967                                           
                                                                              31
IRON, Z=26    [Ar]3d(6)4s(2)  5D                                            
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1262.443656        1262.443629         -2524.887285        -2.000000022    
                                                                            
RHOat0 = 74836.676   Kato cusp = 2.001497                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -261.373415 -31.935515  -4.169434  -0.258178                     
           0.059112   0.268461   0.819236   3.258487                     
        0.004685   0.084984   0.773333  12.381160                     
<1/R>        25.521201   5.498549   1.709910   0.391396                     
<1/R**2>   1310.420410 123.698534  17.698933   0.914094                     
                                                                            
1S  26.7103   0.942524  -0.285853   0.105891   0.022650                     
2S  22.7394   0.063210  -0.189028   0.081539   0.017743                     
2S  11.1579   0.000162   1.008545  -0.442968  -0.096526                     
3S  32.8592   0.008635  -0.000649   0.000883   0.000194                     
3S   8.2265  -0.000114   0.093973  -0.101287  -0.028327                     
3S   5.7011  -0.000058  -0.007693   0.635102   0.171358                     
3S   3.8393   0.000005   0.003112   0.577033   0.129599                     
4S  13.2036   0.000297   0.087617  -0.103885  -0.024523                     
4S   2.2676  -0.000005  -0.000360   0.007684  -0.275750                     
4S   1.4378   0.000003   0.000209  -0.001785  -0.539740                     
4S   0.9462  -0.000001  -0.000070   0.000454  -0.312861                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -27.413707  -2.742193   ORB.ENERGY   -0.646883                  
           0.236132   0.865859              1.072733                  
        0.068377   0.882855           1.489969                  
<1/R>         5.422092   1.576545   <1/R>         1.236916                  
<1/R**2>     40.273502   5.433663   <1/R**2>      2.085959                  
<1/R**3>    462.827450  54.596391   <1/R**3>      4.978801                  
                                                                            
2P  42.2924   0.000583   0.000148   3D  12.7458   0.017645                  
2P  16.3351   0.323715   0.068651   3D   6.6281   0.216184                  
2P   8.7201   0.434152   0.516640   3D   4.0177   0.414852                  
2P   4.0978   0.006165  -0.821240   3D   2.4057   0.383883                  
3P  13.2514   0.288160   0.017006   3D   1.4774   0.129854                  
3P   3.3690  -0.000634  -0.407245                                           
3P   2.1919   0.000215  -0.041825                                           
                                                                              32
COBALT, Z=27    [Ar]3d(7)4s(2)  4F                                          
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1381.414542        1381.414516         -2762.829058        -2.000000019    
                                                                            
RHOat0 = 84002.354   Kato cusp = 2.001413                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -283.065494 -34.868323  -4.524279  -0.267415                     
           0.056878   0.257290   0.782377   3.153572                     
        0.004337   0.078042   0.705537  11.620654                     
<1/R>        26.518656   5.740891   1.793467   0.404875                     
<1/R**2>   1414.588048 134.778776  19.502609   0.976951                     
                                                                            
1S  27.7200   0.943995  -0.287759   0.107248   0.022574                     
2S  23.6470   0.061559  -0.187848   0.082163   0.017611                     
2S  11.4491   0.000242   1.037770  -0.462596  -0.099332                     
3S  34.0340   0.008379  -0.000495   0.000918   0.000208                     
3S   8.3235  -0.000061   0.080271  -0.069603  -0.021162                     
3S   5.8668  -0.000079  -0.008894   0.656282   0.176287                     
3S   3.9712   0.000014   0.003249   0.544100   0.116449                     
4S  13.7147   0.000194   0.068031  -0.104310  -0.024406                     
4S   2.3510  -0.000007  -0.000376   0.006522  -0.281087                     
4S   1.4789   0.000004   0.000212  -0.001372  -0.539890                     
4S   0.9682  -0.000002  -0.000072   0.000344  -0.308876                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -30.120165  -3.006235   ORB.ENERGY   -0.675411                  
           0.225755   0.823547              1.016039                  
        0.062466   0.799031           1.342867                  
<1/R>         5.667323   1.659533   <1/R>         1.310209                  
<1/R**2>     43.958994   6.017521   <1/R**2>      2.343520                  
<1/R**3>    526.962559  63.257174   <1/R**3>      5.928037                  
                                                                            
2P  44.2550  -0.000537  -0.000138   3D  13.3848   0.017145                  
2P  17.0241  -0.324287  -0.068746   3D   7.0420   0.215033                  
2P   9.1323  -0.431492  -0.524198   3D   4.2891   0.412560                  
2P   4.3892  -0.006429   0.802168   3D   2.5511   0.385376                  
3P  13.8562  -0.289377  -0.018893   3D   1.5435   0.135684                  
3P   3.5952   0.000501   0.427837                                           
3P   2.3606  -0.000226   0.050135                                           
                                                                              33
NICKEL, Z=28    [Ar]3d(8)4s(2)  3F                                          
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1506.870896        1506.870821         -3013.741717        -2.000000050    
                                                                            
RHOat0 = 93887.427   Kato cusp = 2.001330                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -305.619027 -37.917819  -4.887827  -0.276245                     
           0.054807   0.247019   0.748942   3.059109                     
        0.004027   0.071923   0.646731  10.956617                     
<1/R>        27.516295   5.983089   1.876340   0.417810                     
<1/R**2>   1522.756155 146.325009  21.376966   1.038551                     
                                                                            
1S  28.7266   0.945523   0.289565  -0.108484   0.022468                     
2S  24.5237   0.059970   0.187069  -0.083030   0.017547                     
2S  11.7009   0.000155  -1.073281   0.486257  -0.102978                     
3S  35.2606   0.008101   0.000139  -0.000950   0.000219                     
3S   8.3190  -0.000099  -0.063716   0.003334  -0.004844                     
3S   5.8931  -0.000046   0.009081  -0.685620   0.182371                     
3S   4.0420   0.000008  -0.003291  -0.475026   0.094382                     
4S  14.1323   0.000226  -0.043470   0.106095  -0.024948                     
4S   2.4332  -0.000005   0.000399  -0.004158  -0.283769                     
4S   1.5225   0.000003  -0.000214   0.000568  -0.538297                     
4S   0.9912  -0.000001   0.000071  -0.000119  -0.308953                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -32.941726  -3.277669   ORB.ENERGY   -0.706924                  
           0.216263   0.785486              0.964703                  
        0.057298   0.727199           1.215301                  
<1/R>         5.912332   1.741835   <1/R>         1.383487                  
<1/R**2>     47.802900   6.626055   <1/R**2>      2.615216                  
<1/R**3>    596.721392  72.719398   <1/R**3>      6.985085                  
                                                                            
2P  46.7514  -0.000470  -0.000119   3D  13.9008   0.017517                  
2P  17.7675  -0.319845  -0.067683   3D   7.3628   0.225100                  
2P   9.5726  -0.438165  -0.527884   3D   4.4602   0.419212                  
2P   4.5914  -0.006828   0.810679   3D   2.6365   0.376659                  
3P  14.5116  -0.285978  -0.020283   3D   1.5875   0.130041                  
3P   3.7535   0.000547   0.421372                                           
3P   2.4658  -0.000255   0.049664                                           
                                                                              34
COPPER, Z=29    [Ar]3d(10)4s(1)  2S                                         
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1638.963723        1638.963674         -3277.927397        -2.000000030    
                                                                            
RHOat0 = 104492.35   Kato cusp = 2.001282                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -328.792952 -40.818928  -5.011952  -0.238481                     
           0.052880   0.237540   0.722765   3.330979                     
        0.003748   0.066499   0.603463  13.081296                     
<1/R>        28.514383   6.225289   1.947498   0.382211                     
<1/R**2>   1634.950447 158.345718  23.064777   0.807793                     
                                                                            
1S  29.6964   0.948723   0.291804  -0.109162   0.018928                     
2S  25.2508   0.056347   0.197199  -0.087326   0.015368                     
2S  12.5550  -0.000132  -1.032643   0.465300  -0.082080                     
3S  36.3548   0.008076   0.000189  -0.000831   0.000180                     
3S   9.2482  -0.000094  -0.085466   0.045865  -0.014992                     
3S   6.2646  -0.000058   0.005789  -0.684743   0.155119                     
3S   4.1881   0.000009  -0.002676  -0.499518   0.077800                     
4S  14.8890   0.000346  -0.078044   0.114174  -0.020952                     
4S   2.4698  -0.000004   0.000278  -0.006857  -0.229694                     
4S   1.4684   0.000003  -0.000149   0.000964  -0.534263                     
4S   0.9292  -0.000001   0.000054  -0.000379  -0.370075                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -35.617918  -3.324793   ORB.ENERGY   -0.491208                  
           0.207536   0.757481              0.991125                  
        0.052747   0.678316           1.334835                  
<1/R>         6.157564   1.810480   <1/R>         1.391231                  
<1/R**2>     51.812525   7.168310   <1/R**2>      2.702492                  
<1/R**3>    672.476798  81.840087   <1/R**3>      7.503998                  
                                                                            
2P  48.7948   0.000433   0.000109   3D  14.1915   0.018641                  
2P  18.4738   0.318485   0.067352   3D   7.5450   0.239705                  
2P   9.9976   0.440209   0.525020   3D   4.4604   0.427410                  
2P   4.7454   0.007102  -0.832540   3D   2.5096   0.365471                  
3P  15.1401   0.284462   0.022690   3D   1.4098   0.148151                  
3P   3.8217  -0.000579  -0.397454                                           
3P   2.5167   0.000353  -0.053274                                           
                                                                              35
ZINC, Z=30    [Ar]3d(10)4s(2)  1S                                           
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1777.848102        1777.848093         -3555.696194        -2.000000005    
                                                                            
RHOat0 = 115925.72   Kato cusp = 2.001265                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -353.304524 -44.361702  -5.637799  -0.292499                     
           0.051085   0.228773   0.690586   2.897648                     
        0.003497   0.061672   0.550224   9.867948                     
<1/R>        29.512053   6.467081   2.040101   0.441879                     
<1/R**2>   1751.093680 170.819077  25.330405   1.155444                     
                                                                            
1S  30.7026   0.950023   0.293360  -0.110788   0.022191                     
2S  26.0605   0.055373   0.203764  -0.090902   0.018507                     
2S  13.2539  -0.000597  -1.012933   0.459095  -0.093638                     
3S  37.7395   0.007693   0.000174  -0.000721   0.000170                     
3S   9.8590  -0.000202  -0.099869   0.072788  -0.021745                     
3S   6.6334  -0.000014   0.005685  -0.664296   0.171174                     
3S   4.4668  -0.000007  -0.002788  -0.532662   0.105412                     
4S  15.6259   0.000616  -0.093558   0.116494  -0.025059                     
4S   2.6384  -0.000001   0.000306  -0.006730  -0.273189                     
4S   1.6263   0.000001  -0.000170   0.001318  -0.542094                     
4S   1.0391   0.000000   0.000058  -0.000334  -0.320316                     
                                                                            
                2p         3p                       3d                      
ORB.ENERGY  -38.924823  -3.839357   ORB.ENERGY   -0.782523                  
           0.199514   0.719787              0.874864                  
        0.048729   0.611170           1.004942                  
<1/R>         6.401756   1.904423   <1/R>         1.530540                  
<1/R**2>     55.965534   7.914870   <1/R**2>      3.202585                  
<1/R**3>    754.039092  94.149404   <1/R**3>      9.449971                  
                                                                            
2P  51.3224  -0.000384  -0.000097   3D  15.0303   0.017396                  
2P  19.2139  -0.314928  -0.066963   3D   8.1007   0.230530                  
2P  10.4311  -0.445010  -0.532060   3D   4.9123   0.421574                  
2P   5.0040  -0.007426   0.823000   3D   2.8828   0.372225                  
3P  15.7917  -0.282257  -0.024274   3D   1.7108   0.130294                  
3P   4.0672   0.000573   0.413856                                           
3P   2.6701  -0.000295   0.048684                                           
                                                                              36
GALLIUM, Z=31    [Ar]3d(10)4s(2)4p(1)  2P                                   
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-1923.261001        1923.260945         -3846.521946        -2.000000029    
                                                                            
RHOat0 = 128176.14   Kato cusp = 2.001229                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -378.818414 -48.168415  -6.394648  -0.424587                     
           0.049408   0.220632   0.660472   2.488873                     
        0.003271   0.057352   0.502651   7.206665                     
<1/R>        30.509723   6.708766   2.135134   0.515590                     
<1/R**2>   1871.221001 183.757673  27.764789   1.671365                     
                                                                            
1S  31.7059   0.951369  -0.294851   0.112463   0.026164                     
2S  26.8956   0.054085  -0.208641   0.093784   0.022235                     
2S  13.9060  -0.000810   0.999302  -0.455774  -0.108184                     
3S  39.0025   0.007436  -0.000181   0.000654   0.000156                     
3S  10.3974  -0.000213   0.111737  -0.098559  -0.029450                     
3S   7.0296  -0.000014  -0.006240   0.636679   0.186235                     
3S   4.7718  -0.000006   0.003025   0.572674   0.144131                     
4S  16.3515   0.000699   0.103312  -0.116529  -0.029905                     
4S   2.8372  -0.000002  -0.000369   0.007303  -0.313648                     
4S   1.8235   0.000001   0.000210  -0.001607  -0.554658                     
4S   1.2004   0.000000  -0.000070   0.000434  -0.262151                     
                                                                            
                2p         3p         4p                       3d           
ORB.ENERGY  -42.494022  -4.482360  -0.208497   ORB.ENERGY   -1.193363       
           0.192085   0.684090   3.424103              0.787885       
        0.045150   0.550701  13.898110           0.796141       
<1/R>         6.645971   2.002594   0.372133   <1/R>         1.664871       
<1/R**2>     60.278558   8.731266   0.342328   <1/R**2>      3.730031       
<1/R**3>    841.922736 108.094710   2.891166   <1/R**3>     11.655110       
                                                                            
2P  30.9647   0.079671  -0.015325  -0.002333   3D  15.7448   0.016981       
2P  11.6838   0.667452  -0.422019  -0.071040   3D   8.5680   0.230981       
3P  25.4398   0.175535  -0.025182  -0.003629   3D   5.2654   0.423088       
3P   8.2598   0.015771   0.273334   0.048418   3D   3.1808   0.376129       
3P   5.5111   0.000196   0.616186   0.123582   3D   1.9710   0.104017       
3P   3.7958   0.000646   0.285565   0.025765                                
4P  20.5257   0.119573   0.000699   0.000350                                
4P   2.2879  -0.000029   0.003673  -0.265238                                
4P   1.3751   0.000015   0.000157  -0.533374                                
4P   0.8682  -0.000006   0.000039  -0.331517                                
                                                                              37
GERMANIUM, Z=32    [Ar]3d(10)4s(2)4p(2)  3P                                 
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-2075.359726        2075.359733         -4150.719459        -1.999999996    
                                                                            
RHOat0 = 141264.57   Kato cusp = 2.001189                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -405.244442 -52.150327  -7.190990  -0.553360                     
           0.047837   0.213048   0.632246   2.225804                     
        0.003066   0.053468   0.460062   5.730932                     
<1/R>        31.507381   6.950515   2.232786   0.578893                     
<1/R**2>   1995.331847 197.169775  30.382780   2.191665                     
                                                                            
1S  32.7208   0.952125  -0.296096  -0.114120  -0.029258                     
2S  27.8041   0.053372  -0.209251  -0.094825  -0.024840                     
2S  14.4020  -0.000842   0.998859   0.458992   0.120324                     
3S  40.2593   0.007163  -0.000219  -0.000620  -0.000142                     
3S  10.8267  -0.000171   0.116798   0.121081   0.036502                     
3S   7.4435  -0.000034  -0.007409  -0.609201  -0.191413                     
3S   5.0894   0.000000   0.003297  -0.613648  -0.182649                     
4S  17.0698   0.000678   0.100296   0.111808   0.032523                     
4S   3.0282  -0.000003  -0.000427  -0.008224   0.352753                     
4S   1.9965   0.000003   0.000245   0.001917   0.546670                     
4S   1.3445  -0.000001  -0.000082  -0.000560   0.232419                     
                                                                            
                2p         3p           4p                     3d           
ORB.ENERGY  -46.236154  -5.161593  -0.287351   ORB.ENERGY   -1.634891       
           0.185185   0.650885   2.866859              0.721233       
        0.041948   0.497423   9.655894           0.657080       
<1/R>         6.890252   2.103809   0.445517   <1/R>         1.793329       
<1/R**2>     64.752319   9.613220   0.511519   <1/R**2>      4.277804       
<1/R**3>    936.405701 123.721151   4.801440   <1/R**3>     14.106197       
                                                                            
2P  32.3720   0.074659  -0.013603  -0.002241   3D  16.4691   0.016414       
2P  12.2227   0.685414  -0.435326  -0.090957   3D   9.0439   0.229546       
3P  26.6070   0.165218  -0.021515  -0.002950   3D   5.6272   0.422554       
3P   8.7258   0.018146   0.252229   0.056839   3D   3.4888   0.381489       
3P   5.8410  -0.000114   0.623458   0.145276   3D   2.1980   0.086376       
3P   4.0849   0.000755   0.297367   0.045219                                
4P  21.4919   0.112519   0.003214   0.001935                                
4P   2.5444  -0.000060   0.003686  -0.299040                                
4P   1.5873   0.000027   0.000284  -0.543013                                
4P   1.0280  -0.000010   0.000030  -0.283008                                
                                                                              38
ARSENIC, Z=33    [Ar]3d(10)4s(2)4p(3)  4S                                   
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-2234.238647        2234.238611         -4468.477258        -2.000000016    
                                                                            
RHOat0 = 155219.44   Kato cusp = 2.001147                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -432.586199 -56.309822  -8.029618  -0.685893                     
           0.046363   0.205963   0.605962   2.029704                     
        0.002879   0.049964   0.422160   4.747468                     
<1/R>        32.505042   7.192370   2.332275   0.637555                     
<1/R**2>   2123.428160 211.057520  33.171895   2.735285                     
                                                                            
1S  33.7071   0.954050  -0.297645  -0.115924   0.031925                     
2S  28.5493   0.051397  -0.217749  -0.099930   0.028203                     
2S  15.1540  -0.001136   0.983785   0.457387  -0.129153                     
3S  41.4602   0.007024  -0.000102  -0.000574   0.000125                     
3S  11.3318  -0.000228   0.127118   0.124070  -0.037218                     
3S   7.7302  -0.000016  -0.007865  -0.596101   0.195492                     
3S   5.3683  -0.000005   0.003541  -0.624965   0.211438                     
4S  17.6911   0.000804   0.117619   0.121421  -0.038577                     
4S   3.2155  -0.000002  -0.000491  -0.008075  -0.393306                     
4S   2.1464   0.000002   0.000277   0.001685  -0.536125                     
4S   1.4740   0.000000  -0.000094  -0.000549  -0.206671                     
                                                                            
                2p         3p         4p                       3d           
ORB.ENERGY  -50.153741  -5.880690  -0.369480   ORB.ENERGY   -2.112654       
           0.178758   0.620229   2.512233              0.667450       
        0.039071   0.450758   7.371187           0.556641       
<1/R>         7.134625   2.207111   0.509991   <1/R>         1.917759       
<1/R**2>     69.387334  10.555878   0.686379   <1/R**2>      4.848005       
<1/R**3>   1037.721550 141.058163   6.958306   <1/R**3>     16.818814       
                                                                            
2P  33.8306   0.069915  -0.011491  -0.001866   3D  17.0538   0.016674       
2P  12.7682   0.700126  -0.453070  -0.108812   3D   9.4108   0.239639       
3P  27.7931   0.156149  -0.016656  -0.001656   3D   5.8490   0.435884       
3P   9.3346   0.021050   0.219149   0.058080   3D   3.7033   0.369917       
3P   6.2386   0.000000   0.630930   0.161657   3D   2.3465   0.062948       
3P   4.4077   0.000760   0.322694   0.068207                                
4P  22.4504   0.106708   0.007328   0.003906                                
4P   2.7882  -0.000067   0.004166  -0.325259                                
4P   1.7792   0.000029   0.000064  -0.546313                                
4P   1.1706  -0.000010  -0.000022  -0.253975                                
                                                                              39
SELENIUM, Z=34  [Ar]3d(10)4s(2)4p(4)  3P                                    
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-2399.867604        2399.867576         -4799.735180        -2.000000012    
                                                                            
RHOat0 = 170070.73   Kato cusp = 2.001117                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -460.867399 -60.668866  -8.932097  -0.837378                     
           0.044978   0.199330   0.581534   1.869230                     
        0.002710   0.046790   0.388447   4.015443                     
<1/R>        33.502730   7.434387   2.433149   0.695413                     
<1/R**2>   2255.512617 225.425059  36.125092   3.331164                     
                                                                            
1S  34.7125   0.955079  -0.298867  -0.117604  -0.034379                     
2S  29.3786   0.050500  -0.221711  -0.102968  -0.030932                     
2S  15.7400  -0.001361   0.981133   0.461461   0.138682                     
3S  42.7575   0.006777  -0.000034  -0.000545  -0.000114                     
3S  11.7494  -0.000279   0.131114   0.126802   0.037692                     
3S   8.0222   0.000006  -0.008785  -0.586337  -0.197476                     
3S   5.6528  -0.000012   0.003839  -0.635716  -0.240944                     
4S  18.3237   0.000911   0.121953   0.125109   0.042941                     
4S   3.4106   0.000000  -0.000550  -0.008229   0.430881                     
4S   2.2896   0.000001   0.000298   0.001502   0.532759                     
4S   1.5845   0.000000  -0.000102  -0.000557   0.178817                     
                                                                            
                2p         3p         4p                       3d           
ORB.ENERGY  -54.268896  -6.661518  -0.402851   ORB.ENERGY   -2.649622       
           0.172757   0.592268   2.299617              0.622432       
        0.036478   0.410405   6.195873           0.480001       
<1/R>         7.379110   2.311199   0.562826   <1/R>         2.039610       
<1/R**2>     74.184149  11.550310   0.857377   <1/R**2>      5.443420       
<1/R**3>   1146.116676 160.058270   9.280218   <1/R**3>     19.814292       
                                                                            
2P  35.2165   0.064815  -0.008694  -0.001192   3D  17.6906   0.016536       
2P  13.3691   0.719004  -0.474977  -0.125022   3D   9.8167   0.244834       
3P  28.9584   0.144057  -0.009411   0.000418   3D   6.1051   0.448354       
3P  10.0638   0.026166   0.181185   0.054010   3D   3.9379   0.358333       
3P   6.6718   0.000188   0.636415   0.173494   3D   2.4892   0.047754       
3P   4.7438   0.000765   0.354144   0.093637                                
4P  23.4246   0.097238   0.013955   0.006379                                
4P   3.0297  -0.000071   0.005093  -0.358802                                
4P   1.9218   0.000023   0.000316  -0.538721                                
4P   1.2451  -0.000011   0.000151  -0.242599                                
                                                                              40
BROMINE, Z=35    [Ar]3d(10)4s(2)4p(5)  2P                                   
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-2572.441325        2572.441351         -5144.882675        -1.999999990    
                                                                            
RHOat0 = 185843.56   Kato cusp = 2.001075                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -490.060332 -65.199950  -9.871887  -0.992675                     
           0.043672   0.193107   0.558860   1.738860                     
        0.002554   0.043907   0.358460   3.467913                     
<1/R>        34.500432   7.676539   2.534994   0.750675                     
<1/R**2>   2391.582918 240.271720  39.234690   3.952880                     
                                                                            
1S  35.7147   0.956178   0.300065  -0.119257  -0.036545                     
2S  30.2313   0.049303   0.224065  -0.105248  -0.033223                     
2S  16.2817  -0.001379  -0.981012   0.466489   0.147307                     
3S  43.9396   0.006623  -0.000003  -0.000526  -0.000106                     
3S  12.1552  -0.000241  -0.133963   0.130322   0.038175                     
3S   8.3109  -0.000016   0.009815  -0.579501  -0.196982                     
3S   5.9392  -0.000002  -0.004183  -0.644361  -0.269614                     
4S  18.9651   0.000876  -0.122802   0.126778   0.046308                     
4S   3.6167  -0.000002   0.000613  -0.008641   0.459442                     
4S   2.4340   0.000003  -0.000317   0.001333   0.530326                     
4S   1.6936   0.000000   0.000109  -0.000566   0.160145                     
                                                                            
                2p         3p         4p                       3d           
ORB.ENERGY  -58.554216  -7.478203  -0.457082   ORB.ENERGY   -3.220169       
           0.167142   0.566611   2.111601              0.584099       
        0.034132   0.375144   5.223555           0.419895       
<1/R>         7.623705   2.416064   0.616846   <1/R>         2.159167       
<1/R**2>     79.142919  12.596986   1.046922   <1/R**2>      6.063313       
<1/R**3>   1261.838536 180.807646  11.999778   <1/R**3>     23.100843       
                                                                            
2P  36.6717   0.059746  -0.005460  -0.000217   3D  18.4910   0.015518       
2P  13.9922   0.734105  -0.499743  -0.142598   3D  10.2980   0.242791       
3P  30.1518   0.132860  -0.000944   0.003309   3D   6.4197   0.459169       
3P  10.8966   0.033198   0.148906   0.049718   3D   4.2010   0.351558       
3P   7.0906   0.000750   0.643268   0.184443   3D   2.6377   0.039199       
3P   5.0673   0.000664   0.379137   0.118116                                
4P  24.3902   0.088869   0.022016   0.009707                                
4P   3.2746  -0.000063   0.005992  -0.380018                                
4P   2.0783   0.000011   0.000647  -0.537214                                
4P   1.3411  -0.000011   0.000313  -0.232420                                
                                                                              41
KRYPTON, Z=36    [Ar]3d(10)4s(2)4p(6)  1S                                   
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-2752.054969        2752.054983         -5504.109952        -1.999999995    
                                                                            
RHOat0 = 202566.04   Kato cusp = 2.001035                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -520.165459 -69.903072 -10.849459  -1.152929                     
           0.042441   0.187256   0.537802   1.629392                     
        0.002412   0.041280   0.331729   3.040358                     
<1/R>        35.498151   7.918829   2.637556   0.804187                     
<1/R**2>   2531.640192 255.598355  42.495905   4.603723                     
                                                                            
1S  36.7205   0.957077  -0.301159   0.120838   0.038487                     
2S  31.1118   0.048295  -0.224630   0.106713   0.035084                     
2S  16.7539  -0.001340   0.985238  -0.473731  -0.155808                     
3S  45.1135   0.006469   0.000027   0.000517   0.000102                     
3S  12.5170  -0.000192   0.134207  -0.131052  -0.037482                     
3S   8.5715  -0.000043  -0.011226   0.580549   0.196315                     
3S   6.2171   0.000010   0.004686   0.644535   0.295835                     
4S  19.6005   0.000816   0.119437  -0.126985  -0.048888                     
4S   3.8388  -0.000004  -0.000706   0.009105  -0.476243                     
4S   2.5911   0.000005   0.000347  -0.001109  -0.530291                     
4S   1.8100  -0.000001  -0.000119   0.000560  -0.151842                     
                                                                            
                2p         3p         4p                       3d           
ORB.ENERGY  -63.009777  -8.331494  -0.524182   ORB.ENERGY   -3.825228       
           0.161876   0.542627   1.951590              0.550880       
        0.032004   0.343537   4.454829           0.371478       
<1/R>         7.868429   2.522775   0.669220   <1/R>         2.276940       
<1/R**2>     84.264195  13.706161   1.238775   <1/R**2>      6.708298       
<1/R**3>   1385.133258 203.553552  14.886597   <1/R**3>     26.691863       
                                                                            
2P  38.0283   0.054135  -0.001435   0.001213   3D  19.1294   0.015286       
2P  14.6932   0.751976  -0.526859  -0.160462   3D  10.7158   0.245430       
3P  31.3136   0.118384   0.009958   0.007447   3D   6.6805   0.473937       
3P  11.7833   0.044500   0.120509   0.045141   3D   4.4322   0.335752       
3P   7.4972   0.001287   0.646740   0.191368   3D   2.7599   0.031469       
3P   5.3888   0.000557   0.401547   0.141683                                
4P  25.3638   0.076875   0.032338   0.014153                                
4P   3.5216  -0.000045   0.006341  -0.393849                                
4P   2.2424   0.000013  -0.000025  -0.538338                                
4P   1.4475  -0.000004   0.000066  -0.225021                                
                                                                              42
RUBIDIUM, Z=37    [Kr]5s(1)  2S                                             
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-2938.357442        2938.357361         -5876.714803        -2.000000028    
                                                                            
RHOat0 = 220301.72   Kato cusp = 2.000922                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -551.457326 -75.049333 -12.133188  -1.523539  -0.137862          
           0.041276   0.181742   0.518105   1.499207   5.631401          
        0.002281   0.038879   0.307673   2.557226  36.167879          
<1/R>        36.495965   8.161488   2.741239   0.876306   0.217763          
<1/R**2>   2675.688377 271.418660  45.924228   5.560444   0.280591          
                                                                            
1S  37.6597   0.960467   0.303005  -0.122718   0.041454   0.008728          
2S  31.9404   0.042932   0.221238  -0.111462   0.038866   0.008204          
2S  16.8617  -0.000093  -1.026270   0.524563  -0.183063  -0.038612          
3S  45.3535   0.007109  -0.000245  -0.000825   0.000256   0.000042          
3S  12.0916   0.000159  -0.100557  -0.215183   0.080032   0.016335          
3S   6.6424   0.000125  -0.004612  -0.773124   0.372057   0.084781          
4S  19.9148  -0.000059  -0.102291   0.167082  -0.065728  -0.014138          
4S   3.9717  -0.000028   0.000640  -0.010285  -0.562841  -0.146431          
4S   2.6062   0.000018  -0.000266   0.001188  -0.573101  -0.109368          
5S  11.5420  -0.000211   0.010396  -0.210462   0.070777   0.013149          
5S   1.7303  -0.000008   0.000116  -0.000540  -0.023626   0.175390          
5S   1.0853   0.000005  -0.000066   0.000267   0.003312   0.556025          
5S   0.7168  -0.000002   0.000024  -0.000091  -0.001164   0.394524          
                                                                            
                2p         3p         4p                       3d           
ORB.ENERGY  -67.906220  -9.487684  -0.810061   ORB.ENERGY   -4.732282       
           0.156927   0.520757   1.734937              0.521335       
        0.030066   0.316060   3.477698           0.331036       
<1/R>         8.113293   2.629144   0.752058   <1/R>         2.394259       
<1/R**2>     89.548558  14.858936   1.577857   <1/R**2>      7.383580       
<1/R**3>   1516.271831 228.065929  20.096797   <1/R**3>     30.625668       
                                                                            
2P  40.4071   0.043079   0.002918   0.002888   3D  19.9656   0.014081       
2P  15.5458   0.779487  -0.545128  -0.184729   3D  11.2720   0.233527       
3P  33.1343   0.095670   0.020706   0.012302   3D   7.1489   0.455528       
3P  12.7443   0.063827   0.085175   0.039095   3D   4.8701   0.349694       
3P   7.9163   0.001775   0.646495   0.207397   3D   3.1960   0.042870       
3P   5.7101   0.000499   0.425641   0.174300                                
4P  26.7299   0.060229   0.042147   0.019670                                
4P   3.7718  -0.000051   0.006843  -0.424584                                
4P   2.4254   0.000017  -0.000099  -0.581322                                
4P   1.6089  -0.000005   0.000028  -0.145948                                
                                                                              43
STRONTIUM, Z=38    [Kr]5s(2)  1S                                            
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-3131.545674        3131.545574         -6263.091248        -2.000000032    
                                                                            
RHOat0 = 239052.25   Kato cusp = 2.000923                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -583.687877 -80.390786 -13.475021  -1.896804  -0.178452          
           0.040174   0.176536   0.499698   1.390924   4.632850          
        0.002161   0.036678   0.286029   2.191496  24.494709          
<1/R>        37.493847   8.404429   2.845715   0.948079   0.268683          
<1/R**2>   2823.738208 287.731813  49.511285   6.606805   0.484018          
                                                                            
1S  38.6766   0.960803   0.303862   0.124165   0.044153   0.011387          
2S  32.7622   0.043118   0.227987   0.115932   0.042508   0.010991          
2S  17.6638  -0.000546  -1.005014  -0.518144  -0.190100  -0.049113          
3S  46.8232   0.006721  -0.000192   0.000757   0.000230   0.000042          
3S  12.7979   0.000081  -0.115623   0.175185   0.064281   0.015585          
3S   6.9740   0.000104  -0.004700   0.805787   0.420637   0.118647          
4S  20.6858   0.000184  -0.118775  -0.172787  -0.070827  -0.018671          
4S   4.2125  -0.000025   0.000708   0.011784  -0.569917  -0.187386          
4S   2.8491   0.000017  -0.000299  -0.001591  -0.577559  -0.139266          
5S  12.1086  -0.000172   0.010249   0.204433   0.067732   0.014814          
5S   1.8492  -0.000007   0.000126   0.000624  -0.015972   0.289906          
5S   1.2152   0.000005  -0.000079  -0.000339   0.002941   0.558928          
5S   0.8188  -0.000002   0.000028   0.000114  -0.000680   0.288435          
                                                                            
                2p         3p         4p                       3d           
ORB.ENERGY  -72.996030 -10.699969  -1.098155   ORB.ENERGY   -5.694389       
           0.152268   0.500521   1.577614              0.495014       
        0.028297   0.291693   2.857242           0.297162       
<1/R>         8.358311   2.735976   0.829072   <1/R>         2.510862       
<1/R**2>     94.996384  16.062791   1.931624   <1/R**2>      8.087616       
<1/R**3>   1655.482351 254.543524  25.894968   <1/R**3>     34.909486       
                                                                            
2P  42.7301   0.030306   0.009319   0.005483   3D  20.7700   0.013127       
2P  16.6389   0.811617  -0.569292  -0.209108   3D  11.8072   0.224304       
3P  35.0112   0.064192   0.038033   0.019826   3D   7.5922   0.440334       
3P  13.8073   0.097475   0.047280   0.028810   3D   5.2871   0.359256       
3P   8.2941   0.002506   0.654407   0.225194   3D   3.5961   0.053222       
3P   5.9989   0.000332   0.436187   0.199730                                
4P  28.1756   0.034102   0.059016   0.027842                                
4P   4.0091  -0.000040   0.006535  -0.451600                                
4P   2.6162   0.000012  -0.000021  -0.611309                                
4P   1.6854  -0.000003  -0.000065  -0.090744                                
                                                                              44
YTTRIUM, Z=39    [Kr]4d(1)5s(2)  2D                                         
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-3331.684158        3331.684150         -6663.368307        -2.000000002    
                                                                            
RHOat0 = 258825.47   Kato cusp = 2.000948                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -616.749339 -85.810931 -14.758905  -2.168866  -0.196137          
           0.039129   0.171618   0.482564   1.311714   4.299870          
        0.002050   0.034657   0.266604   1.946802  21.136058          
<1/R>        38.491889   8.647529   2.950163   1.009637   0.290899          
<1/R**2>   2975.796354 304.529052  53.229252   7.576340   0.584767          
                                                                            
1S  39.7224   0.960080   0.304345   0.125399   0.046138   0.012247          
2S  33.6027   0.045175   0.233833   0.119821   0.045391   0.012074          
2S  18.3793  -0.001567  -0.993114  -0.516076  -0.195574  -0.051987          
3S  48.7440   0.006033  -0.000202   0.000700   0.000199   0.000038          
3S  13.3446  -0.000219  -0.124424   0.153637   0.052859   0.012518          
3S   7.2830   0.000014  -0.004980   0.824075   0.461392   0.134763          
4S  21.3822   0.000855  -0.129631  -0.177748  -0.074774  -0.020203          
4S   4.4484  -0.000005   0.000788   0.012444  -0.581457  -0.199281          
4S   3.0474   0.000005  -0.000337  -0.001672  -0.575339  -0.145438          
5S  12.5609  -0.000022   0.010524   0.200249   0.062477   0.013467          
5S   2.0044  -0.000002   0.000134   0.000618  -0.016837   0.296136          
5S   1.3112   0.000001  -0.000079  -0.000310   0.002621   0.559777          
5S   0.8747   0.000000   0.000027   0.000101  -0.000609   0.288710          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY  -78.164460 -11.854181  -1.301177   ORB.ENERGY   -6.599469  -0.249843
           0.147874   0.481793   1.471165              0.471362   2.435117
        0.026679   0.270039   2.480385           0.268432   7.264053
<1/R>         8.603493   2.842924   0.892449   <1/R>         2.626972   0.545592
<1/R**2>    100.608702  17.314274   2.250015   <1/R**2>      8.821104   0.566309
<1/R**3>   1803.049876 282.998630  31.490662   <1/R**3>     39.561154   1.711655
                                                                                
2P  45.1959   0.015985   0.013658   0.007526   3D  20.9990   0.014824  -0.002992
2P  17.8974   0.849353  -0.563739  -0.219184   3D  11.9070   0.258493  -0.056375
3P  37.1587   0.026725   0.048327   0.025116   3D   7.2875   0.601413  -0.241729
3P  14.7946   0.138567  -0.006137   0.011431   3D   4.6011   0.129384   0.512516
3P   8.7835   0.003167   0.620845   0.219417   4D   5.7904   0.084425  -0.365269
3P   6.3922   0.000262   0.487291   0.238060   4D   2.7134   0.002942   0.400153
4P  29.9120   0.001671   0.067300   0.033146   4D   1.6373  -0.000449   0.472371
4P   4.2354  -0.000040   0.008332  -0.473272   4D   0.9993   0.000143   0.213171
4P   2.7964   0.000009  -0.000445  -0.605988                                
4P   1.7852  -0.000003   0.000043  -0.080554                                
                                                                              45
ZIRCONIUM, Z=40     [Kr]4d(2)5s(2)  3F                                      
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-3538.995053        3538.995042         -7077.990095        -2.000000003    
                                                                            
RHOat0 = 279659.35   Kato cusp = 2.001009                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -650.704975 -91.377678 -16.055019  -2.419186  -0.207288          
           0.038137   0.166963   0.466569   1.245628   4.091705          
        0.001947   0.032798   0.249103   1.754744  19.179063          
<1/R>        39.490031   8.890788   3.054716   1.067325   0.306527          
<1/R**2>   3131.857499 321.811868  57.083949   8.541645   0.657415          
                                                                            
1S  40.7891   0.958661   0.304575  -0.126474   0.047779   0.012672          
2S  34.4609   0.048443   0.240401  -0.123985   0.048124   0.012781          
2S  19.1696  -0.002967  -0.976241   0.510824  -0.198339  -0.052635          
3S  51.1760   0.005199  -0.000180  -0.000621   0.000172   0.000028          
3S  14.0056  -0.000632  -0.137458  -0.125183   0.037812   0.008034          
3S   7.5966  -0.000109  -0.004954  -0.845727   0.497570   0.146263          
4S  22.1375   0.001762  -0.141960   0.182541  -0.077806  -0.020961          
4S   4.6587   0.000024   0.000801  -0.013029  -0.604867  -0.209688          
4S   3.2070  -0.000011  -0.000338   0.001754  -0.561753  -0.139697          
5S  13.0607   0.000172   0.010060  -0.196198   0.058290   0.011697          
5S   2.1201   0.000004   0.000129  -0.000626  -0.015948   0.302034          
5S   1.3752  -0.000003  -0.000073   0.000300   0.002170   0.559795          
5S   0.9098   0.000000   0.000025  -0.000097  -0.000494   0.287194          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY  -83.478533 -13.019759  -1.487587   ORB.ENERGY   -7.515832  -0.336752
           0.143725   0.464443   1.385566              0.450089   2.104484
        0.025195   0.250756   2.198369           0.243963   5.359532
<1/R>         8.848787   2.949831   0.950890   <1/R>         2.742175   0.627586
<1/R**2>    106.384524  18.611844   2.563936   <1/R**2>      9.581306   0.744770
<1/R**3>   1959.203195 313.471604  37.312794   <1/R**3>     44.579961   2.439249
                                                                                
2P  47.2894   0.007920   0.014954   0.008380   3D  21.6043   0.014903   0.003282
2P  18.9113   0.864740  -0.548594  -0.222193   3D  11.8740   0.398441   0.099488
3P  39.0617   0.006156   0.049948   0.026809   3D   5.6325   0.359142   0.090782
3P  15.5797   0.166347  -0.041392  -0.000868   4D   9.1444   0.314611   0.068680
3P   9.1966   0.003864   0.600526   0.214836   4D   4.1290   0.015434  -0.208862
3P   6.7401   0.000095   0.517300   0.268717   4D   2.6333   0.000045  -0.440798
4P  31.4855  -0.015667   0.067124   0.034677   4D   1.6878   0.000151  -0.393876
4P   4.4650  -0.000029   0.009447  -0.491131   4D   1.1008   0.000001  -0.134919
4P   2.9661   0.000000  -0.000625  -0.598899                                
4P   1.8952  -0.000002   0.000106  -0.077406                                
                                                                              46
NIOBIUM, Z=41    [Kr]4d(4)5s(1)  6D                                         
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-3753.597716        3753.597739         -7507.195454        -1.999999994    
                                                                            
RHOat0 = 301563.83   Kato cusp = 2.000908                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -685.444011 -96.974820 -17.247057  -2.537468  -0.215590          
           0.037194   0.162551   0.451645   1.193620   3.985219          
        0.001852   0.031083   0.233323   1.611986  18.212711          
<1/R>        40.488326   9.134143   3.158977   1.117520   0.314471          
<1/R**2>   3291.914304 339.575942  61.059110   9.423756   0.686875          
                                                                            
1S  41.7434   0.961175   0.306025   0.127992   0.049152   0.012664          
2S  35.3327   0.044322   0.237409   0.123668   0.048721   0.012565          
2S  19.4788  -0.001834  -0.990557  -0.522977  -0.206092  -0.053088          
3S  51.3713   0.005628  -0.000221   0.000642   0.000186   0.000023          
3S  14.2959  -0.000262  -0.130816   0.132276   0.035236   0.006551          
3S   7.8700   0.000005  -0.005172   0.842402   0.523528   0.151392          
4S  22.6990   0.000984  -0.129732  -0.178513  -0.076873  -0.020174          
4S   4.8823  -0.000002   0.000811   0.012585  -0.624565  -0.211147          
4S   3.3343   0.000004  -0.000327  -0.001334  -0.552565  -0.132947          
5S  13.3478  -0.000005   0.010382   0.198121   0.054469   0.009289          
5S   2.2445  -0.000001   0.000125   0.000543  -0.019527   0.280113          
5S   1.4324   0.000000  -0.000062  -0.000250   0.004724   0.569278          
5S   0.9392   0.000000   0.000024   0.000069   0.000858   0.301898          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY  -88.823116 -14.081419  -1.556984   ORB.ENERGY   -8.329286  -0.300639
           0.139800   0.448341   1.324287              0.430775   2.071214
        0.023830   0.233523   2.011649           0.222841   5.289530
<1/R>         9.094202   3.056550   0.998663   <1/R>         2.856822   0.647834
<1/R**2>    112.324514  19.953619   2.836612   <1/R**2>     10.369634   0.800651
<1/R**3>   2124.210204 345.991793  42.723444   <1/R**3>     49.986809   2.723784
                                                                                
2P  49.4286   0.005451   0.014169   0.008213   3D  22.1877   0.014904   0.003283
2P  19.6324   0.862731  -0.536114  -0.222053   3D  12.2251   0.409835   0.100591
3P  40.7909   0.001179   0.047220   0.026290   3D   5.7876   0.327950   0.162213
3P  16.1936   0.178498  -0.057793  -0.006556   3D   3.4029   0.011875  -0.348773
3P   9.5298   0.004367   0.594477   0.211376   4D   9.3914   0.335209   0.065185
3P   7.0510  -0.000114   0.527609   0.289486   4D   2.5965  -0.000669  -0.394496
4P  32.8210  -0.018878   0.063583   0.034165   4D   1.6522   0.000234  -0.366588
4P   4.6928  -0.000015   0.010034  -0.506457   4D   1.0605  -0.000018  -0.141878
4P   3.1130  -0.000015  -0.000586  -0.580540                                
4P   2.0122  -0.000002   0.000212  -0.091582                                
                                                                              47
MOLYBDENUM, Z=42    [Kr]4d(5)5s(1)  7S                                      
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-3975.549487        3975.549493         -7951.098980        -1.999999998    
                                                                            
RHOat0 = 324598.90   Kato cusp = 2.000873                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -721.202191-102.850591 -18.584528  -2.762907  -0.222725          
           0.036296   0.158364   0.437613   1.142377   3.841740          
        0.001763   0.029498   0.218970   1.476363  16.968563          
<1/R>        41.486632   9.377695   3.263694   1.171270   0.327047          
<1/R**2>   3455.966236 357.829927  65.186319  10.415942   0.748298          
                                                                            
1S  42.7425   0.962070   0.306935  -0.129261   0.050557   0.012933          
2S  36.2098   0.043169   0.237253  -0.124528   0.049874   0.012760          
2S  19.9247  -0.001678  -0.995992   0.529678  -0.212208  -0.054220          
3S  52.4536   0.005573  -0.000250  -0.000626   0.000193   0.000020          
3S  14.6520  -0.000202  -0.129301  -0.130879   0.028878   0.004143          
3S   8.1505   0.000029  -0.005610  -0.842359   0.551495   0.160091          
4S  23.3229   0.000864  -0.125168   0.176789  -0.076744  -0.019965          
4S   5.1157  -0.000007   0.000881  -0.012580  -0.634721  -0.214823          
4S   3.4917   0.000007  -0.000347   0.001082  -0.553088  -0.132312          
5S  13.6857  -0.000038   0.011029  -0.200425   0.051443   0.007496          
5S   2.3571  -0.000002   0.000128  -0.000482  -0.019802   0.282363          
5S   1.4897   0.000001  -0.000060   0.000206   0.004878   0.568779          
5S   0.9661   0.000000   0.000024  -0.000057   0.001027   0.305619          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY  -94.444083 -15.286558  -1.723626   ORB.ENERGY   -9.284218  -0.357912
           0.136081   0.433332   1.260413              0.413218   1.875157
        0.022573   0.218033   1.821849           0.204535   4.308556
<1/R>         9.339690   3.163304   1.052205   <1/R>         2.970616   0.713442
<1/R**2>    118.427110  21.342240   3.155945   <1/R**2>     11.183813   0.965543
<1/R**3>   2298.252225 380.677986  49.191240   <1/R**3>     55.781037   3.481440
                                                                                
2P  51.2736   0.002347   0.013908   0.008232   3D  22.9005   0.014298   0.003366
2P  20.4266   0.862806  -0.522435  -0.221257   3D  12.6580   0.410590   0.108254
3P  42.4402  -0.006158   0.045257   0.025846   3D   6.0525   0.321217   0.176427
3P  16.8366   0.193670  -0.077421  -0.014486   3D   3.5536   0.010376  -0.395951
3P   9.8793   0.004935   0.585780   0.208525   4D   9.7486   0.340238   0.071509
3P   7.3678  -0.000336   0.541100   0.312120   4D   2.7024  -0.000597  -0.410929
4P  34.1870  -0.024536   0.060287   0.033403   4D   1.7351   0.000143  -0.335730
4P   4.9234   0.000000   0.010869  -0.519055   4D   1.1346  -0.000036  -0.110648
4P   3.2697  -0.000028  -0.000628  -0.576360                                
4P   2.1185   0.000000   0.000255  -0.090868                                
                                                                              48
TECHNETIUM, Z=43    [Kr]4d(5)5s(2)  6S                                      
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-4204.788722        4204.788677         -8409.577399        -2.000000011    
                                                                            
RHOat0 = 348792.97   Kato cusp = 2.000866                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -758.043040-109.069778 -20.131826  -3.152181  -0.231268          
           0.035440   0.154384   0.424391   1.091530   3.684647          
        0.001681   0.028030   0.205872   1.347033  15.641489          
<1/R>        42.484927   9.621442   3.368888   1.229587   0.341743          
<1/R**2>   3624.007856 376.575106  69.468169  11.549029   0.824194          
                                                                            
1S  43.7613   0.962275   0.307603  -0.130405   0.052081   0.013283          
2S  37.0818   0.043292   0.239744  -0.126665   0.051665   0.013157          
2S  20.5473  -0.001947  -0.989486   0.529567  -0.216073  -0.054962          
3S  53.9182   0.005310  -0.000230  -0.000589   0.000189   0.000023          
3S  15.1937  -0.000257  -0.135846  -0.114905   0.016662   0.000108          
3S   8.4476   0.000011  -0.005741  -0.852057   0.582808   0.170032          
4S  24.0307   0.001012  -0.128482   0.177528  -0.077501  -0.019908          
4S   5.3489  -0.000003   0.000911  -0.013016  -0.640499  -0.220526          
4S   3.6757   0.000004  -0.000339   0.001006  -0.558426  -0.127369          
5S  14.1204  -0.000011   0.010992  -0.200850   0.048669   0.006109          
5S   2.4102  -0.000001   0.000115  -0.000429  -0.015715   0.305203          
5S   1.5279   0.000000  -0.000061   0.000185   0.002098   0.560859          
5S   0.9884   0.000000   0.000021  -0.000060  -0.000493   0.290453          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY -100.406084 -16.699570  -2.041209   ORB.ENERGY  -10.444631  -0.543944
           0.132553   0.419294   1.193030              0.397210   1.620236
        0.021411   0.204040   1.628439           0.188595   3.142838
<1/R>         9.585252   3.270182   1.113717   <1/R>         3.083493   0.814479
<1/R**2>    124.692426  22.778770   3.540576   <1/R**2>     12.022897   1.241283
<1/R**3>   2481.573939 417.620145  57.128767   <1/R**3>     61.968839   4.797754
                                                                                
2P  52.9821   0.001500   0.013626   0.008186   3D  23.5175   0.014099   0.003718
2P  21.0486   0.860433  -0.519116  -0.224913   3D  13.0453   0.416170   0.123034
3P  43.8578  -0.007648   0.044111   0.025642   3D   6.2613   0.304613   0.197914
3P  17.3646   0.198804  -0.083868  -0.018115   3D   3.7227   0.007879  -0.464963
3P  10.1141   0.005092   0.609595   0.220385   4D  10.0555   0.351461   0.084609
3P   7.6073  -0.000539   0.519096   0.324748   4D   2.8086  -0.000165  -0.463260
4P  35.3274  -0.025053   0.058553   0.033083   4D   1.8327   0.000023  -0.271624
4P   5.1799   0.000013   0.010590  -0.526097   4D   1.2458   0.000002  -0.041969
4P   3.4522  -0.000037  -0.000366  -0.591749                                
4P   2.2236   0.000003   0.000153  -0.075879                                
                                                                              49
RUTHENIUM, Z=44    [Kr]4d(7)5s(1)  5F                                       
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-4441.539471        4441.539417         -8883.078888        -2.000000012    
                                                                            
RHOat0 = 374131.21   Kato cusp = 2.000845                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -795.513463-115.158783 -21.413875  -3.257117  -0.222424          
           0.034624   0.150598   0.412017   1.054738   3.735235          
        0.001604   0.026669   0.193987   1.258968  16.140221          
<1/R>        43.483425   9.865207   3.473377   1.275814   0.337123          
<1/R**2>   3796.066238 395.797963  73.852058  12.484313   0.785489          
                                                                            
1S  44.7676   0.962878   0.308369  -0.131520   0.052994  -0.012642          
2S  37.9473   0.042691   0.241207  -0.128366   0.052661  -0.012529          
2S  21.1032  -0.001991  -0.987658   0.532288  -0.218427   0.051886          
3S  55.1696   0.005176  -0.000234  -0.000565   0.000184  -0.000013          
3S  15.7100  -0.000255  -0.139581  -0.106262   0.006347   0.002992          
3S   8.7353   0.000014  -0.005705  -0.856572   0.607303  -0.167177          
4S  24.6978   0.001020  -0.128097   0.177879  -0.077079   0.018510          
4S   5.5734  -0.000003   0.000887  -0.013147  -0.652721   0.210064          
4S   3.7938   0.000004  -0.000311   0.000766  -0.554377   0.117438          
5S  14.5125  -0.000016   0.010610  -0.202916   0.044636  -0.003639          
5S   2.5155  -0.000001   0.000105  -0.000406  -0.019362  -0.272330          
5S   1.5531   0.000000  -0.000048   0.000156   0.003030  -0.562346          
5S   0.9861   0.000000   0.000019  -0.000050   0.000062  -0.327039          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY -106.239384 -17.848743  -2.101237   ORB.ENERGY  -11.343334  -0.412767
           0.129203   0.406183   1.150563              0.382504   1.630109
        0.020337   0.191402   1.517294           0.174579   3.259047
<1/R>         9.830944   3.376726   1.158209   <1/R>         3.195826   0.824848
<1/R**2>    131.122920  24.257276   3.836005   <1/R**2>     12.888866   1.289621
<1/R**3>   2674.513995 456.767228  63.761114   <1/R**3>     68.576385   5.142827
                                                                                
2P  55.3565   0.000623   0.012338   0.007580   3D  24.1687   0.013758   0.003579
2P  21.7256   0.853588  -0.506203  -0.221231   3D  13.4515   0.419226   0.121318
3P  45.6880  -0.008811   0.040497   0.024093   3D   6.5053   0.292226   0.213964
3P  17.9535   0.207881  -0.096627  -0.023526   3D   4.0439   0.007494  -0.455974
3P  10.4294   0.005614   0.607484   0.216321   4D  10.3841   0.359007   0.082299
3P   7.9116  -0.000815   0.524132   0.341837   4D   2.9873   0.000548  -0.440806
4P  36.6952  -0.025164   0.054331   0.031441   4D   1.8815   0.000087  -0.308210
4P   5.4132   0.000032   0.011449  -0.533904   4D   1.2184   0.000068  -0.084621
4P   3.5961  -0.000052  -0.000348  -0.580315                                
4P   2.3285   0.000002   0.000274  -0.089681                                
                                                                              50
RHODIUM, Z=45    [Kr]4d(8)5s(1)  4F                                         
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-4685.881686        4685.881624         -9371.763310        -2.000000013    
                                                                            
RHOat0 = 400684.70   Kato cusp = 2.000831                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -834.039464-121.563637 -22.879601  -3.503878  -0.221613          
           0.033844   0.146991   0.400322   1.016687   3.702057          
        0.001533   0.025403   0.183085   1.169999  15.898379          
<1/R>        44.481916  10.109146   3.578229   1.326834   0.340218          
<1/R**2>   3972.114072 415.511754  78.385935  13.558832   0.790115          
                                                                            
1S  45.7788   0.963300   0.309058  -0.132580   0.054073  -0.012384          
2S  38.8162   0.042397   0.244158  -0.130512   0.054017  -0.012320          
2S  21.7902  -0.002115  -0.977603   0.528972  -0.218980   0.049849          
3S  56.5086   0.005005  -0.000199  -0.000533   0.000178  -0.000004          
3S  16.2941  -0.000265  -0.148954  -0.082985  -0.009239   0.007077          
3S   9.0435   0.000013  -0.005830  -0.872709   0.633984  -0.168794          
4S  25.4412   0.001061  -0.133289   0.177565  -0.076562   0.017614          
4S   5.7859  -0.000003   0.000908  -0.013738  -0.665080   0.207481          
4S   3.9281   0.000004  -0.000309   0.000731  -0.550367   0.107292          
5S  14.9903  -0.000015   0.010662  -0.199602   0.040465  -0.001585          
5S   2.5691  -0.000001   0.000101  -0.000395  -0.018196  -0.271487          
5S   1.5698   0.000000  -0.000048   0.000151   0.002464  -0.559488          
5S   0.9897   0.000000   0.000018  -0.000051  -0.000258  -0.331979          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY -112.386169 -19.179583  -2.291136   ORB.ENERGY  -12.421280  -0.450183
           0.126016   0.393875   1.104031              0.368927   1.531455
        0.019341   0.179916   1.396909           0.162142   2.873215
<1/R>        10.076687   3.483279   1.209582   <1/R>         3.307609   0.878699
<1/R**2>    137.715931  25.782000   4.188646   <1/R**2>     13.781017   1.460626
<1/R**3>   2877.213116 498.268393  71.746275   <1/R**3>     75.610039   6.086010
                                                                                
2P  57.1592   0.000108   0.011910   0.007352   3D  24.9328   0.013008   0.003491
2P  22.3381   0.850632  -0.502207  -0.221625   3D  13.9092   0.416960   0.124544
3P  47.1396  -0.009588   0.039104   0.023422   3D   6.7910   0.290073   0.240728
3P  18.4771   0.212153  -0.102857  -0.027131   3D   4.3808   0.008045  -0.461136
3P  10.6701   0.005752   0.630166   0.224562   4D  10.7708   0.361199   0.083280
3P   8.1551  -0.001016   0.503167   0.351346   4D   3.2220   0.000880  -0.448582
4P  37.8449  -0.025177   0.052362   0.030544   4D   2.0251   0.000162  -0.313926
4P   5.6674   0.000042   0.011550  -0.538045   4D   1.2974   0.000098  -0.086941
4P   3.7624  -0.000061  -0.000140  -0.584071                                
4P   2.4396   0.000003   0.000275  -0.091491                                
                                                                              51
PALLADIUM, Z=46    [Kr]4d(10)  1S                                           
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-4937.921004        4937.921032         -9875.842036        -1.999999994    
                                                                            
RHOat0 = 428395.15   Kato cusp = 2.000808                                   
                                                                            
                1s         2s         3s         4s                         
ORB.ENERGY -873.315913-127.966552 -24.209082  -3.587289                     
           0.033099   0.143552   0.389298   0.985959                     
        0.001466   0.024225   0.173103   1.101818                     
<1/R>        45.480522  10.353164   3.682831   1.371555                     
<1/R**2>   4152.168880 435.708975  83.040800  14.537300                     
                                                                            
1S  46.7974   0.963477  -0.309644  -0.133550  -0.054815                     
2S  39.7609   0.042281  -0.241461  -0.123434  -0.052756                     
2S  22.2661  -0.002125   0.972158   0.501753   0.214648                     
3S  57.8248   0.004837   0.000190  -0.000331  -0.000069                     
3S  17.1695  -0.000218   0.166151   0.174110   0.063272                     
3S  10.4876  -0.000076  -0.015150  -1.041445  -0.323329                     
3S   7.6059   0.000074   0.012539  -0.215033  -0.632043                     
4S  26.2283   0.001060   0.120928   0.128957   0.065935                     
4S   7.0968  -0.000036  -0.005154   0.010786   0.630734                     
4S   4.6932   0.000010   0.000654  -0.002595   0.712527                     
4S   3.1874  -0.000002  -0.000147  -0.000254   0.151216                     
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY -118.531082 -20.374264  -2.330069   ORB.ENERGY  -13.363420  -0.335984
           0.122981   0.382314   1.068566              0.356139   1.533028
        0.018416   0.169459   1.311048           0.150821   2.951405
<1/R>        10.322528   3.589665   1.253042   <1/R>         3.420148   0.892660
<1/R**2>    144.473329  27.350491   4.501777   <1/R**2>     14.708093   1.519603
<1/R**3>   3089.985637 542.141531  79.271902   <1/R**3>     83.143427   6.506021
                                                                                
2P  58.8127  -0.000956   0.011820   0.007233   3D  25.6291   0.012542   0.003306
2P  23.0155   0.848032  -0.497355  -0.219932   3D  14.3366   0.417949   0.122300
3P  48.5886  -0.011945   0.038274   0.022796   3D   7.0434   0.282174   0.259777
3P  19.0380   0.219542  -0.111306  -0.031602   3D   4.7075   0.007467  -0.458744
3P  10.9139   0.006054   0.652935   0.231305   4D  11.1238   0.367116   0.080472
3P   8.3975  -0.001285   0.482199   0.357808   4D   3.3993   0.000776  -0.450081
4P  39.0467  -0.026699   0.050845   0.029584   4D   2.0532  -0.000099  -0.331187
4P   5.9151   0.000060   0.011737  -0.542403   4D   1.2286   0.000030  -0.115963
4P   3.9120  -0.000073   0.000059  -0.579630                                
4P   2.5168   0.000001   0.000348  -0.103448                                
                                                                              52
SILVER, Z=47    [Kr]4d(10)5s(1)  2S                                         
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-5197.698452        5197.698391         -10395.39684        -2.000000012    
                                                                            
RHOat0 = 457506.91   Kato cusp = 2.000809                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -913.835587-134.878402 -25.917812  -4.001481  -0.219972          
           0.032386   0.140268   0.378839   0.949403   3.655961          
        0.001403   0.023127   0.163895   1.020639  15.577450          
<1/R>        46.479064  10.597352   3.787881   1.427064   0.344268          
<1/R**2>   4336.204776 456.400145  87.852441  15.794289   0.782627          
                                                                            
1S  47.8514   0.962576   0.309871  -0.134351   0.055923   0.011744          
2S  40.9787   0.043178   0.228566  -0.118518   0.051198   0.010877          
2S  22.0035  -0.001792  -1.017441   0.533350  -0.230754  -0.048947          
3S  59.2334   0.004598   0.000077  -0.000484   0.000190   0.000002          
3S  14.2658  -0.000095  -0.229517   0.240470  -0.109861  -0.017119          
3S   9.8321  -0.000064   0.207153  -1.582931   0.833102   0.170582          
4S  26.8874   0.000892  -0.105288   0.128920  -0.065026  -0.014950          
4S   6.1462  -0.000005  -0.001975  -0.011704  -0.694923  -0.200263          
4S   4.1628   0.000005   0.000556   0.000035  -0.526878  -0.085225          
5S  12.0237   0.000047  -0.097011   0.272133  -0.057381   0.000512          
5S   2.6653  -0.000002  -0.000103  -0.000238  -0.015230   0.266367          
5S   1.6001   0.000000   0.000045   0.000089   0.001617   0.554588          
5S   0.9964   0.000000  -0.000015  -0.000027  -0.000589   0.343864          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY -125.181574 -21.945422  -2.676802   ORB.ENERGY  -14.678189  -0.537384
           0.120088   0.371418   1.023203              0.344428   1.369800
        0.017555   0.159896   1.199843           0.140869   2.291413
<1/R>        10.568378   3.696050   1.310063   <1/R>         3.531194   0.981689
<1/R**2>    151.392127  28.964882   4.921961   <1/R**2>     15.654430   1.809902
<1/R**3>   3312.961384 588.488911  89.227741   <1/R**3>     91.081757   8.136570
                                                                                
2P  59.6755  -0.000486   0.012015   0.007326   3D  26.5320   0.011443   0.003198
2P  23.4442   0.852285  -0.504748  -0.225437   3D  14.8584   0.408967   0.127221
3P  49.2846  -0.010777   0.038779   0.023026   3D   7.4089   0.293527   0.292865
3P  19.4073   0.212194  -0.108002  -0.031813   3D   5.0317   0.010359  -0.473484
3P  11.1133   0.005206   0.693682   0.248680   4D  11.5827   0.360675   0.081591
3P   8.5884  -0.001057   0.442503   0.362284   4D   3.6742   0.000592  -0.461096
4P  39.6983  -0.025296   0.050594   0.029300   4D   2.3057  -0.000043  -0.323613
4P   6.1921   0.000004   0.011693  -0.544134   4D   1.4594   0.000013  -0.089292
4P   4.0980  -0.000056   0.000268  -0.593807                                
4P   2.6664  -0.000002   0.000287  -0.097203                                
                                                                              53
CADMIUM, Z=48    [Kr]4d(10)5s(2)  1S                                        
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-5465.133119        5465.133066         -10930.26618        -2.000000010    
                                                                            
RHOat0 = 487877.14   Kato cusp = 2.000792                                   
                                                                            
                1s         2s         3s         4s         5s              
ORB.ENERGY -955.315341-142.006812 -27.708607  -4.450517  -0.264844          
           0.031703   0.137128   0.368910   0.914133   3.237216          
        0.001345   0.022100   0.155390   0.945138  12.166505          
<1/R>        47.477627  10.841708   3.893205   1.484941   0.390406          
<1/R**2>   4524.234370 477.582300  92.811103  17.160652   1.070592          
                                                                            
1S  48.8593  -0.963076   0.310527  -0.135316   0.057161   0.013586          
2S  41.8698  -0.042646   0.228857  -0.119308   0.052306   0.012564          
2S  22.4790   0.001795  -1.019867   0.537403  -0.235995  -0.056626          
3S  60.4880  -0.004491   0.000076  -0.000469   0.000199   0.000016          
3S  14.3001   0.000057  -0.259887   0.288963  -0.139049  -0.027410          
3S  10.1202   0.000109   0.254786  -1.653006   0.889261   0.209002          
4S  27.5563  -0.000878  -0.103810   0.128363  -0.065501  -0.016811          
4S   6.4013   0.000007  -0.002567  -0.011693  -0.685578  -0.225422          
4S   4.3771  -0.000006   0.000722  -0.000097  -0.544565  -0.106966          
5S  12.3302  -0.000072  -0.114971   0.296330  -0.068777  -0.003003          
5S   2.8247   0.000002  -0.000139  -0.000218  -0.014236   0.305107          
5S   1.7468  -0.000001   0.000062   0.000081   0.001843   0.559228          
5S   1.0996   0.000000  -0.000020  -0.000026  -0.000446   0.299847          
                                                                            
                2p         3p         4p                       3d         4d    
ORB.ENERGY -132.047005 -23.597219  -3.053486   ORB.ENERGY  -16.071957  -0.763640
           0.117327   0.361119   0.980384              0.333489   1.252086
        0.016753   0.151114   1.099649           0.131895   1.884727
<1/R>        10.814311   3.802547   1.368985   <1/R>         3.642018   1.064243
<1/R**2>    158.474708  30.626741   5.375469   <1/R**2>     16.628547   2.105655
<1/R**3>   3546.474693 637.431377 100.266914   <1/R**3>     99.496539   9.903393
                                                                                
2P  61.2693  -0.003491   0.012056   0.007329   3D  27.1187   0.011362   0.003372
2P  24.3867   0.846774  -0.487592  -0.220421   3D  15.2353   0.415382   0.134092
3P  51.0214  -0.017899   0.037082   0.022058   3D   7.5671   0.273191   0.410853
3P  20.1418   0.233029  -0.129977  -0.042937   3D   5.7574   0.008574  -0.530026
3P  11.4415   0.006386   0.692790   0.248783   4D  11.8823   0.374807   0.080051
3P   8.8868  -0.001657   0.447228   0.381672   4D   4.0763   0.001446  -0.492902
4P  41.2731  -0.031025   0.047556   0.027784   4D   2.6003  -0.000168  -0.337277
4P   6.4430   0.000083   0.012624  -0.547540   4D   1.6781   0.000035  -0.079483
4P   4.2737  -0.000088   0.000261  -0.608051                                
4P   2.7729   0.000006   0.000230  -0.084838                                
                                                                              53
INDIUM, Z=49    [Kr]4d(10)5s(2)5p(1)  2P                                    
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-5740.169136        5740.169085         -11480.33822        -2.000000009    
                                                                            
RHOat0 = 519574.86   Kato cusp = 2.000773                                   
                                                                            
                1s         2s         3s         4s         5s    
ORB.ENERGY -997.800440-149.395427 -29.624647  -4.976682  -0.372649
           0.031048   0.134125   0.359491   0.881300   2.844453
        0.001290   0.021140   0.147532   0.877587   9.304171
<1/R>        48.476204  11.086132   3.998535   1.543153   0.444787
<1/R**2>   4716.256388 499.249788  97.904761  18.591183   1.468225
                                                                  
1S  49.8562  -0.963874   0.311262  -0.136287   0.058380   0.015733
2S  42.7396  -0.041635   0.232797  -0.121521   0.054098   0.014736
2S  23.3252   0.001644  -0.998250   0.526341  -0.234633  -0.063871
3S  61.5834  -0.004461   0.000146  -0.000472   0.000173   0.000019
3S  15.4101  -0.000167  -0.246350   0.292647  -0.136020  -0.032213
3S  10.5039   0.000414   0.211167  -1.611645   0.868222   0.234704
4S  28.3599  -0.000714  -0.116182   0.130254  -0.067856  -0.019619
4S   6.6346   0.000008  -0.002366  -0.014751  -0.672160  -0.251912
4S   4.5945  -0.000008   0.000716   0.000660  -0.559666  -0.133245
5S  12.8800  -0.000229  -0.100060   0.265628  -0.043432   0.002168
5S   2.9947   0.000003  -0.000144  -0.000375  -0.013547   0.343640
5S   1.9172  -0.000002   0.000067   0.000169   0.001819   0.566475
5S   1.2425   0.000000  -0.000021  -0.000051  -0.000457   0.246558
                                                                  
                2p         3p         4p         5p               
ORB.ENERGY -139.171910 -25.374265  -3.507196  -0.197279           
           0.114689   0.351365   0.939852   3.777242           
        0.016005   0.143028   1.008733  16.634893           
<1/R>        11.060332   3.909187   1.429675   0.331864           
<1/R**2>    165.721288  32.336681   5.862263   0.313803           
<1/R**3>   3790.740322 689.033986 112.429693   4.457480           
                                                                  
2P  50.3601   0.069930  -0.000716   0.020255  -0.004135           
2P  19.8835   0.714310   0.656646  -0.471830   0.094945           
3P  42.1272   0.149803  -0.017882   0.064433  -0.013104           
3P  12.3717   0.001067  -0.901074   0.706386  -0.141370           
3P   8.9588   0.000149  -0.451270   0.168541  -0.039221           
4P  34.7384   0.105796  -0.041099   0.082715  -0.016775           
4P   6.0595  -0.000141  -0.005543  -0.679925   0.174014           
4P   4.0228  -0.000010  -0.000663  -0.485366   0.073620           
5P  18.7753   0.006026   0.130590  -0.191612   0.038641           
5P   2.5200  -0.000005   0.000011  -0.015790  -0.269992           
5P   1.5365   0.000002  -0.000003   0.001286  -0.555145           
5P   0.9534   0.000000   0.000004  -0.000517  -0.333057           
                                                                  
                3d         4d                                     
ORB.ENERGY  -17.589547  -1.063118                                 
           0.323243   1.156916                                 
        0.123768   1.590773                                 
<1/R>         3.752678   1.144702                                 
<1/R**2>     17.630750   2.416159                                 
<1/R**3>    108.403669  11.856480                                 
                                                                  
3D  27.9290   0.010541  -0.003594                                 
3D  15.7710   0.402123  -0.103601                                 
3D   8.4278   0.174209  -1.002117                                 
3D   7.3906   0.135450   0.859764                                 
4D  12.3645   0.357445   0.037696                                 
4D   4.7206   0.002120   0.529715                                 
4D   3.0048  -0.000091   0.396615                                 
4D   1.9243   0.000007   0.082009                                 
                                                                              55
TIN, Z=50    [Kr]4d(10)5s(2)5p(2)  3P                                       
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-6022.931678        6022.931640         -12045.86332        -2.000000006    
                                                                            
RHOat0 = 552621.73   Kato cusp = 2.000769                                   
                                                                            
                1s         2s         3s         4s         5s    
ORB.ENERGY 1041.223339-156.977572 -31.598969  -5.512489  -0.476426
           0.030419   0.131250   0.350534   0.850435   2.585885
        0.001238   0.020241   0.140251   0.816477   7.646049
<1/R>        49.474791  11.330667   4.104012   1.602228   0.490494
<1/R**2>   4912.272590 521.406227 103.140624  20.102124   1.851116
                                                                  
1S  50.8848  -0.963742   0.311679  -0.137098   0.059535   0.017407
2S  43.6518  -0.042158   0.232593  -0.122055   0.055090   0.016260
2S  23.7600   0.001971  -1.003187   0.531834  -0.240399  -0.070946
3S  63.1844  -0.004214   0.000149  -0.000468   0.000181   0.000038
3S  15.3000   0.000076  -0.281509   0.349803  -0.169197  -0.046567
3S  10.7843   0.000092   0.270107  -1.701531   0.933273   0.277739
4S  29.0062  -0.000941  -0.113792   0.130124  -0.068648  -0.021206
4S   6.9275   0.000008  -0.003118  -0.014337  -0.648826  -0.265073
4S   4.8462  -0.000007   0.000912   0.000313  -0.591938  -0.165573
5S  13.1566  -0.000064  -0.122197   0.299228  -0.057389  -0.003124
5S   3.1710   0.000003  -0.000182  -0.000288  -0.014377   0.371340
5S   2.0784  -0.000002   0.000086   0.000144   0.002015   0.562270
5S   1.3745   0.000000  -0.000027  -0.000039  -0.000545   0.222868
                                                                  
                2p         3p         4p         5p               
ORB.ENERGY -146.489258 -27.209033  -3.969043  -0.265035           
           0.112165   0.342112   0.902128   3.248093           
        0.015304   0.135565   0.927899  12.191397           
<1/R>        11.306439   4.015986   1.491373   0.386575           
<1/R**2>    173.132173  34.095123   6.378493   0.445571           
<1/R**3>   4046.070155 743.401042 125.701866   6.832151           
                                                                  
2P  52.0165   0.065285  -0.000395   0.018150  -0.004624           
2P  20.4432   0.731458   0.646815  -0.454590   0.110016           
3P  43.4868   0.140962  -0.015665   0.058174  -0.014678           
3P  12.6049   0.000357  -0.902956   0.699907  -0.168847           
3P   9.1725   0.000268  -0.432953   0.171411  -0.045190           
4P  35.8464   0.100039  -0.037195   0.075210  -0.018836           
4P   6.3115  -0.000171  -0.005180  -0.672221   0.203400           
4P   4.2560  -0.000002  -0.000768  -0.498300   0.094435           
5P  19.3198   0.006952   0.120041  -0.178466   0.044257           
5P   2.7011  -0.000007   0.000042  -0.015496  -0.313546           
5P   1.7056   0.000004  -0.000013   0.001276  -0.561331           
5P   1.0938  -0.000001   0.000008  -0.000511  -0.273972           
                                                                  
                3d         4d                                     
ORB.ENERGY  -19.163348  -1.369034                                 
           0.313622   1.080402                                 
        0.116380   1.377097                                 
<1/R>         3.863205   1.221482                                 
<1/R**2>     18.661202   2.733849                                 
<1/R**3>    117.818962  13.957697                                 
                                                                  
3D  28.8714   0.009551  -0.003436                                 
3D  16.3132   0.391196  -0.098746                                 
3D   8.8904   0.185799  -0.973948                                 
3D   7.6656   0.143279   0.796256                                 
4D  12.8390   0.347738   0.055998                                 
4D   4.9306   0.002084   0.548357                                 
4D   3.1899  -0.000128   0.387795                                 
4D   2.0484   0.000005   0.061893                                 
                                                                              56
ANTIMONY, Z=51    [Kr]4d(10)5s(2)5p(3)  4S                                  
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-6313.485304        6313.485364         -12626.97067        -1.999999990    
                                                                            
RHOat0 = 587044.44   Kato cusp = 2.000752                                   
                                                                            
                1s         2s         3s         4s         5s    
ORB.ENERGY 1085.589032-164.757946 -33.636206  -6.063172  -0.581765
           0.029816   0.128494   0.342004   0.821515   2.390153
        0.001189   0.019398   0.133489   0.761324   6.506819
<1/R>        50.473390  11.575314   4.209629   1.661857   0.532141
<1/R**2>   5112.280230 544.052180 108.518628  21.687379   2.237688
                                                                  
1S  51.8877  -0.964330   0.312314  -0.137982   0.060711  -0.018852
2S  44.5213  -0.041502   0.235156  -0.123689   0.056632  -0.017743
2S  24.4600   0.001952  -0.992428   0.527160  -0.241679   0.075737
3S  64.3876  -0.004143   0.000160  -0.000461   0.000161  -0.000046
3S  16.0100  -0.000017  -0.280646   0.361794  -0.173010   0.052605
3S  11.1348   0.000222   0.256053  -1.690278   0.932230  -0.298252
4S  29.7459  -0.000889  -0.119544   0.130614  -0.070282   0.022826
4S   7.1903   0.000009  -0.003210  -0.016561  -0.626505   0.272024
4S   5.0920  -0.000009   0.000969   0.000808  -0.617304   0.195900
5S  13.6191  -0.000129  -0.117797   0.285046  -0.041765  -0.000107
5S   3.3489   0.000003  -0.000192  -0.000364  -0.015234  -0.393283
5S   2.2326  -0.000002   0.000092   0.000200   0.002101  -0.556743
5S   1.5001   0.000000  -0.000028  -0.000052  -0.000613  -0.209339
                                                                  
                2p         3p         4p         5p               
ORB.ENERGY -154.003778 -29.106134  -4.444706  -0.334705           
           0.109749   0.333323   0.867077   2.901067           
        0.014649   0.128664   0.855986   9.667023           
<1/R>        11.552631   4.122931   1.553756   0.433785           
<1/R**2>    180.707339  35.902001   6.922127   0.576437           
<1/R**3>   4312.681007 800.596117 140.076276   9.345140           
                                                                  
2P  53.7047   0.061335  -0.000059   0.016559  -0.005130           
2P  20.9836   0.744974   0.638631  -0.443368   0.123457           
3P  44.8533   0.133912  -0.013587   0.053525  -0.016292           
3P  12.8322   0.000023  -0.911119   0.703768  -0.196548           
3P   9.3659   0.000314  -0.411288   0.168629  -0.045694           
4P  36.9427   0.095844  -0.033699   0.069735  -0.020924           
4P   6.5539  -0.000192  -0.004469  -0.667082   0.224069           
4P   4.4870   0.000004  -0.000920  -0.508060   0.114248           
5P  19.8592   0.007501   0.110887  -0.168885   0.050016           
5P   2.8844  -0.000009   0.000082  -0.015231  -0.345604           
5P   1.8640   0.000005  -0.000032   0.001432  -0.560641           
5P   1.2205  -0.000001   0.000012  -0.000380  -0.239545           
                                                                  
                3d         4d                                     
ORB.ENERGY  -20.798064  -1.687854                                 
           0.304568   1.016399                                 
        0.109644   1.212421                                 
<1/R>         3.973620   1.295656                                 
<1/R**2>     19.719955   3.060008                                 
<1/R**3>    127.755391  16.216641                                 
                                                                  
3D  18.7549   0.178452   0.009818                                 
3D  11.7256   0.720283  -0.753495                                 
3D   8.1288   0.234244   0.146216                                 
4D  25.4647  -0.018179   0.008944                                 
4D  14.9735  -0.066416   0.284152                                 
4D   5.6954   0.001380   0.515789                                 
4D   3.7082   0.000355   0.474863                                 
4D   2.3636  -0.000101   0.089348                                 
                                                                              57
TELLURIUM, Z=52    [Kr]4d(10)5s(2)5p(4)  3P                                 
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-6611.784043        6611.784050         -13223.56809        -1.999999999    
                                                                            
RHOat0 = 622874.99   Kato cusp = 2.000737                                   
                                                                            
                1s         2s         3s         4s         5s    
ORB.ENERGY 1130.916996-172.755400 -35.754883  -6.647011  -0.700555
           0.029236   0.125850   0.333871   0.794422   2.227963
        0.001143   0.018606   0.127199   0.711487   5.637959
<1/R>        51.472008  11.820079   4.315393   1.721886   0.572717
<1/R**2>   5316.282203 567.189131 114.039411  23.344190   2.651395
                                                                  
1S  52.8991  -0.964664   0.312852  -0.138803   0.061845   0.020204
2S  45.4465  -0.041115   0.233815  -0.123500   0.057243   0.018858
2S  24.8600   0.001902  -0.997672   0.532103  -0.246978  -0.081399
3S  65.6488  -0.004049   0.000167  -0.000437   0.000163   0.000055
3S  16.0400  -0.000139  -0.310341   0.420965  -0.210337  -0.069302
3S  11.4242   0.000378   0.304298  -1.778781   1.000308   0.339745
4S  30.4485  -0.000844  -0.114638   0.128010  -0.069568  -0.023624
4S   7.4618   0.000011  -0.003957  -0.016045  -0.610764  -0.280046
4S   5.3315  -0.000011   0.001178   0.000516  -0.641036  -0.223822
5S  13.9235  -0.000205  -0.135154   0.316904  -0.058386  -0.006221
5S   3.4919   0.000004  -0.000228  -0.000262  -0.015384   0.433791
5S   2.3444  -0.000002   0.000111   0.000169   0.002097   0.549980
5S   1.5918   0.000000  -0.000034  -0.000040  -0.000673   0.179374
                                                                  
                2p         3p         4p         5p               
ORB.ENERGY -161.734370 -31.084040  -4.952561  -0.359827           
           0.107434   0.324966   0.834979   2.691328           
        0.014034   0.122270   0.793022   8.338314           
<1/R>        11.798907   4.229998   1.615914   0.471710           
<1/R**2>    188.446948  37.757092   7.485997   0.701608           
<1/R**3>   4590.820851 860.684837 155.430526  11.936268           
                                                                  
2P  55.4092   0.057722   0.000214   0.015790  -0.005407           
2P  21.5212   0.757303   0.631491  -0.440349   0.133015           
3P  46.2296   0.127432  -0.011784   0.051263  -0.017209           
3P  13.0584  -0.000208  -0.921065   0.723399  -0.219879           
3P   9.5469   0.000342  -0.388965   0.154219  -0.043211           
4P  38.0429   0.092022  -0.030576   0.067070  -0.022171           
4P   6.7573  -0.000210  -0.003564  -0.671899   0.243368           
4P   4.6933   0.000011  -0.001050  -0.504924   0.126850           
5P  20.4079   0.007976   0.102147  -0.164779   0.053565           
5P   3.0444  -0.000009   0.000121  -0.014301  -0.394122           
5P   1.9579   0.000005  -0.000035   0.000655  -0.547374           
5P   1.2735  -0.000001   0.000018  -0.000455  -0.215262           
                                                                  
                3d         4d                                     
ORB.ENERGY  -22.512343  -2.038281                                 
           0.296029   0.961176                                 
        0.103481   1.079909                                 
<1/R>         4.083956   1.368189                                 
<1/R**2>     20.807251   3.396734                                 
<1/R**3>    138.230493  18.648071                                 
                                                                  
3D  19.1502   0.189945   0.004940                                 
3D  11.9116   0.696808  -0.781454                                 
3D   8.2893   0.217717   0.182028                                 
4D  26.1132  -0.017243   0.008693                                 
4D  15.2954  -0.037499   0.280698                                 
4D   5.8285   0.000343   0.536227                                 
4D   3.8606   0.000478   0.456122                                 
4D   2.4677  -0.000134   0.070461                                 
                                                                              58
IODINE, Z=53    [Kr]4d(10)5s(2)5p(5)  2P                                    
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-6917.980881        6917.980928         -13835.96181        -1.999999993    
                                                                            
RHOat0 = 660139.50   Kato cusp = 2.000727                                   
                                                                            
                1s         2s         3s         4s         5s    
ORB.ENERGY 1177.186285-180.949210 -37.934455  -7.244349  -0.821109
           0.028678   0.123312   0.326110   0.769050   2.094420
        0.001100   0.017861   0.121338   0.666420   4.971697
<1/R>        52.470639  12.064949   4.421281   1.782144   0.611070
<1/R**2>   5524.278168 590.816463 119.702508  25.068477   3.073379
                                                                  
1S  53.9232  -0.964645   0.313262   0.139548   0.062924   0.021403
2S  46.3778  -0.041350   0.233029   0.123356   0.057894   0.019834
2S  25.3200   0.002077  -0.998597  -0.533745  -0.250833  -0.086007
3S  67.1360  -0.003875   0.000169   0.000411   0.000140   0.000065
3S  16.5300  -0.000063  -0.304908  -0.436540  -0.219917  -0.078592
3S  11.7430   0.000273   0.292959   1.788202   1.016648   0.365055
4S  31.1982  -0.000950  -0.111008  -0.124327  -0.068867  -0.024011
4S   7.7564   0.000011  -0.003955   0.017184  -0.581290  -0.275646
4S   5.5959  -0.000010   0.001165  -0.000621  -0.675335  -0.261359
5S  14.3135  -0.000153  -0.130049  -0.315258  -0.051735  -0.006855
5S   3.6876   0.000004  -0.000215   0.000244  -0.017394   0.442124
5S   2.5058  -0.000002   0.000101  -0.000177   0.002308   0.549606
5S   1.7111   0.000000  -0.000030   0.000037  -0.000779   0.178244
                                                                  
                2p         3p         4p         5p               
ORB.ENERGY -169.660337 -33.122299  -5.473347  -0.403173           
           0.105213   0.317010   0.805271   2.501704           
        0.013457   0.116335   0.737040   7.200318           
<1/R>        12.045262   4.337185   1.678107   0.510301           
<1/R**2>    196.350971  39.660476   8.071898   0.837936           
<1/R**3>   4880.731149 923.737857 171.835965  14.871083           
                                                                  
2P  57.1079   0.053730   0.000290   0.014308  -0.005622           
2P  22.0921   0.773329   0.624253  -0.427468   0.140976           
3P  47.6375   0.119094  -0.010507   0.046630  -0.017855           
3P  13.2707  -0.000909  -0.932085   0.726136  -0.243155           
3P   9.7063   0.000538  -0.363922   0.148233  -0.038653           
4P  39.2034   0.086139  -0.027814   0.061235  -0.022967           
4P   6.9871  -0.000264  -0.002337  -0.671132   0.255316           
4P   4.9206   0.000031  -0.001284  -0.509596   0.147401           
5P  20.9853   0.008997   0.092541  -0.153148   0.056485           
5P   3.2522  -0.000013   0.000175  -0.014932  -0.410935           
5P   2.1021   0.000008  -0.000040  -0.000020  -0.543892           
5P   1.3652  -0.000002   0.000025  -0.000577  -0.210766           
                                                                  
                3d         4d                                     
ORB.ENERGY  -24.285681  -2.401195                                 
           0.287964   0.913033                                 
        0.097830   0.971471                                 
<1/R>         4.194206   1.439107                                 
<1/R**2>     21.922969   3.742982                                 
<1/R**3>    149.256705  21.250066                                 
                                                                  
3D  19.5616   0.206457  -0.004338                                 
3D  12.0593   0.645959  -0.795614                                 
3D   8.4937   0.205748   0.222659                                 
4D  26.9243  -0.015706   0.008081                                 
4D  15.6155   0.009349   0.263784                                 
4D   5.9399   0.000011   0.566249                                 
4D   3.9812   0.000439   0.427834                                 
4D   2.5304  -0.000133   0.052510                                 
                                                                              58
XENON, Z=54    [Kr]4d(10)5s(2)5p(6)  1S                                     
                                                                            
TOTAL ENERGY      KINETIC ENERGY      POTENTIAL ENERGY      VIRIAL RATIO    
-7232.138349        7232.138386         -14464.27673        -1.999999995    
                                                                            
RHOat0 = 698865.13   Kato cusp = 2.000711                                   
                                                                            
                1s         2s         3s         4s         5s    
ORB.ENERGY 1224.397767-189.340111 -40.175652  -7.856291  -0.944407
           0.028141   0.120873   0.318696   0.745267   1.980955
        0.001059   0.017160   0.115870   0.625571   4.440087
<1/R>        53.469284  12.309921   4.527285   1.842538   0.647891
<1/R**2>   5736.266145 614.934856 125.507901  26.858025   3.506821
                                                                  
1S  54.9179  -0.965401   0.313912  -0.140382   0.064020  -0.022510
2S  47.2500  -0.040350   0.236118  -0.125401   0.059550  -0.021077
2S  26.0942   0.001890  -0.985333   0.528161  -0.251138   0.088978
3S  68.1771  -0.003868   0.000229  -0.000435   0.000152  -0.000081
3S  16.8296  -0.000263  -0.346825   0.494492  -0.252274   0.095199
3S  12.0759   0.000547   0.345786  -1.855445   1.063559  -0.398492
4S  31.9030  -0.000791  -0.120941   0.128637  -0.071737   0.025623
4S   8.0145   0.000014  -0.005057  -0.017980  -0.563072   0.274471
4S   5.8396  -0.000013   0.001528   0.000792  -0.697466   0.291110
5S  14.7123  -0.000286  -0.151508   0.333907  -0.058009   0.011171
5S   3.8555   0.000005  -0.000281  -0.000228  -0.018353  -0.463123
5S   2.6343  -0.000003   0.000134   0.000191   0.002292  -0.545266
5S   1.8124   0.000001  -0.000040  -0.000037  -0.000834  -0.167779
                                                                  
                2p         3p         4p         5p               
ORB.ENERGY -177.782438 -35.221651  -6.008328  -0.457283           
           0.103082   0.309425   0.777023   2.337950           
        0.012915   0.110816   0.685527   6.276430           
<1/R>        12.291694   4.444510   1.741492   0.547155           
<1/R**2>    204.419530  41.612611   8.690096   0.970729           
<1/R**3>   5182.670677 989.845535 189.572708  17.825267           
                                                                  
2P  58.7712   0.051242   0.000264   0.013769  -0.005879           
2P  22.6065   0.781070   0.622357  -0.426955   0.149040           
3P  48.9702   0.114910  -0.009861   0.045088  -0.018716           
3P  13.4997  -0.000731  -0.952677   0.748434  -0.266839           
3P   9.8328   0.000458  -0.337900   0.132850  -0.031096           
4P  40.2591   0.083993  -0.026340   0.059406  -0.024100           
4P   7.1841  -0.000265  -0.000384  -0.679569   0.267374           
4P   5.1284   0.000034  -0.001665  -0.503653   0.161460           
5P  21.5330   0.009061   0.087491  -0.149635   0.059721           
5P   3.4469  -0.000014   0.000240  -0.014193  -0.428353           
5P   2.2384   0.000006  -0.000083   0.000528  -0.542284           
5P   1.4588  -0.000002   0.000026  -0.000221  -0.201667           
                                                                  
                3d         4d                                     
ORB.ENERGY  -26.118859  -2.777871                                 
           0.280333   0.870451                                 
        0.092633   0.880863                                 
<1/R>         4.304379   1.508735                                 
<1/R**2>     23.067118   4.099141                                 
<1/R**3>    160.847940  24.028996                                 
                                                                  
3D  19.9787   0.220185  -0.013758                                 
3D  12.2129   0.603140  -0.804573                                 
3D   8.6994   0.194682   0.260624                                 
4D  27.7398  -0.014369   0.007490                                 
4D  15.9410   0.049865   0.244109                                 
4D   6.0580  -0.000300   0.597018                                 
4D   4.0990   0.000418   0.395554                                 
4D   2.5857  -0.000133   0.039786                                 



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