$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$*********************************************************************
$ Potassium atom
$ Q=9., MEFIT, MCDHF+Breit, Ref 38.
$ [38] Lim et al., J. Chem. Phys. 122, 104103 (2005)
$*********************************************************************
A 19
ECP 10 5 3
 1
  2  1.            0.
 1
  2  6.882798725   91.144930956
 2
  2  4.726860935   9.674728404
  2  4.845267086   20.569141945
 4
  2  8.707542696  -2.542646076
  2  8.310839526  -3.464046663
  2  8.707542696  -2.542646076
  2  8.310839526  -3.464046663
 2
  2  13.939669153 -16.555281537
  2  16.629551418 -36.621153100
$ Spin-orbit
 2
  2  4.726860935  -19.349456809
  2  4.845267086   20.569141945
 4
  2  8.707542696   2.542646076
  2  8.310839526  -2.309364442
  2  8.707542696   2.542646076
  2  8.310839526  -2.309364442
 2
  2  13.939669153  11.036854358
  2  16.629551418 -18.310576550
$*********************************************************************
$ CHECKME
$ Calcium atom
$ Q=10., MEFIT, MCDHF+Breit, Ref 41.
$ [41] I.S. Lim, H. Stoll, P. Schwerdtfeger, J. Chem. Phys. 124, 034107 (2006)
$*********************************************************************
A 20
ECP 10 5 3
 1
  2  1.  0.
 2
  2  10.556058402  138.832728745
  2  5.293154907   16.754824599
 4
  2  12.714571445  27.661607611
  2  12.878516057  55.297862576
  2  4.147923622   4.210974307
  2  3.841287457   7.627482586
 4
  2  4.703264136  -0.514324716
  2  4.707975898  -0.765184799
  2  13.696151450 -6.490621584
  2  13.698165108 -9.735555558
 2
  2  14.820019137 -14.000148237
  2  22.000803239 -61.616066332
$ Spin-orbit
 4
  2  12.714571445 -55.323215221
  2  12.878516057  55.297862576
  2  4.147923622  -8.421948613
  2  3.841287457   7.627482586
 4
  2  4.703264136   0.514324716
  2  4.707975898  -0.510123200
  2  13.696151450  6.490621584
  2  13.698165108 -6.490370372
 2
  2  14.820019137  9.333432158
  2  22.000803239 -30.808033166
$*********************************************************************
$ Copper atom
$ Q=19., MEFIT, MCDHF+Breit, Ref 37.
$ [37] D. Figgen, G. Rauhut, M. Dolg, H. Stoll, Chem. Phys. 311, 227 (2005).
$*********************************************************************
A 29
ECP 10 5 3
 1
  2  1.000000  0.000000
 2
  2  30.110543  355.750512
  2  13.076310  70.930906
 4
  2  32.692614  77.969931
  2  32.770339  155.927448
  2  13.751067  18.021132
  2  13.322166  36.094372
 4
  2  38.996511 -12.343410
  2  39.539788 -18.273362
  2  12.287511 -0.984705
  2  11.459300 -1.318747 
 2
  2  6.190102  -0.227264
  2  8.118780  -0.468773
 4
  2  32.692614 -155.939863
  2  32.770339  155.927448
  2  13.751067 -36.042265
  2  13.322166  36.094372
 4
  2  38.996511  12.343410
  2  39.539788 -12.182241
  2  12.287511  0.984705
  2  11.459300 -0.879165 
 2
  2  6.190102   0.151509
  2  8.118780  -0.234387
$*********************************************************************
$ Zinc atom
$ Q=20., MEFIT, MCDHF+Breit, Ref 37.
$ [37] D. Figgen, G. Rauhut, M. Dolg, H. Stoll, Chem. Phys. 311, 227 (2005).
$*********************************************************************
A 30
ECP 10 5 3
 1
  2  1.000000  0.000000
 2
  2  34.174001  399.986399
  2  14.456371  85.489750
 4
  2  39.888683  92.381077
  2  39.655017  184.771176
  2  15.290546  23.002541
  2  14.903524  46.057427
 4
  2  43.708296 -13.690734
  2  43.698536 -20.543980
  2  15.150718 -1.316154
  2  15.282441 -1.838715
 2
  2  8.160014  -0.370360
  2  12.228422 -1.062943
 4
  2  39.888683 -184.762153
  2  39.655017  184.771176
  2  15.290546 -46.005081
  2  14.903524  46.057427
 4
  2  43.708296  13.690734
  2  43.698536 -13.695987
  2  15.150718  1.316154
  2  15.282441 -1.225810
 2
  2  8.160014   0.246907
  2  12.228422 -0.531472
$*********************************************************************
$ Gallium atom
$ Q=21., MEFIT, MCDHF+Breit+QED, Ref 29.
$ [29] B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000).
$*********************************************************************
A 31
ECP 10 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 25.880361 370.273040
2 7.901295 9.190615
$P-G
4
2 45.149190 99.144001
2 44.979981 198.295512
2 17.224251 28.445653
2 16.747329 56.949705
$D-G
6
2 51.968812 -18.168797
2 51.629117 -27.380273
2 15.241738 -1.587022
2 15.320193 -2.516292
2 4.918589 0.083166
2 4.755103 0.202198
$F-G
2
2 10.762263 -0.616990
2 19.852939 -3.138584
$P
4
2 45.149190 -198.288001
2 44.979981  198.295512
2 17.224251 -56.891306
2 16.747329  56.949705
$D
6
2 51.968812  18.168797
2 51.629117 -18.253515
2 15.241738  1.587022
2 15.320193 -1.677528
2 4.918589  -0.083166
2 4.755103   0.134798
$F
2
2 10.762263  0.411327
2 19.852939 -1.569292
$*********************************************************************
$ Germanium atom
$ Q=22., MEFIT, MCDHF+Breit+QED, Ref 29.
$ [29] B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000).
$*********************************************************************
A 32
ECP 10 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 27.242225 370.236090
2 7.467948 9.214629
$P-G
4
2 45.567991 99.135034
2 45.517505 198.271454
2 18.245769 28.388121
2 17.651078 56.803471
$D-G
6
2 52.760598 -17.967085
2 53.136663 -26.815539
2 14.564079 -1.383893
2 12.631857 -2.072663
2 3.923042 0.080334
2 3.738774 0.238529
$F-G
2
2 11.407378 -0.705680
2 18.429054 -2.475951
$P
4
2 45.567991 -198.270067
2 45.517505  198.271454
2 18.245769 -56.776241
2 17.651078  56.803471
$D
6
2 52.760598  17.967085
2 53.136663 -17.877026
2 14.564079  1.383893
2 12.631857 -1.381775
2 3.923042  -0.080334
2 3.738774   0.159020
$F
2
2 11.407378  0.470453
2 18.429054 -1.237976
$*********************************************************************
$ Arsenic atom
$ Q=23., MEFIT, MCDHF+Breit+QED, Ref 29.
$ [29] B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000).
$*********************************************************************
A 33
ECP 10 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 28.725122 370.114025
2 6.767681 9.349296
$P-G
4
2 45.331064 99.142103
2 44.767415 198.307880
2 19.539090 28.383073
2 18.973471 56.871464
$D-G
6
2 51.057152 -18.485145
2 50.151340 -28.113530
2 16.108936 -1.223895
2 14.672223 -1.345765
2 3.851927 0.101757
2 3.813502 0.170338
$F-G
2 
2 11.940584 -0.775230
2 17.761160 -2.157259
$P
4 
2 45.331064 -198.284206
2 44.767415  198.307880
2 19.539090 -56.766147
2 18.973471  56.871464
$D
6
2 51.057152  18.485145
2 50.151340 -18.742354
2 16.108936  1.223895
2 14.672223 -0.897177
2 3.851927  -0.101757
2 3.813502   0.113558
$F
2
2 11.940584  0.516820
2 17.761160 -1.078629
$*********************************************************************
$ Selenium atom
$ Q=24., MEFIT, MCDHF+Breit, Ref 36.
$ [36] K.A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg, J. Chem. Phys. 119, 11113 (2003).
$*********************************************************************
A 34
ECP 10 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 30.046990 370.122888
2 6.918688 10.456168
$P-G
4
2 45.773014 99.135059
2 45.294642 198.292483
2 20.739648 28.338747
2 20.028601 56.749747
$D-G
6
2 50.941768 -18.526556
2 49.594740 -28.334921
2 16.323522 -0.696089
2 14.465196 -1.167891
2 3.775330 0.041443
2 3.501953 0.235583
$F-G
2
2 11.950867 -0.766262
2 17.810780 -2.102742
$P
4
2 45.773014 -198.270119
2 45.294642  198.292483
2 20.739648 -56.677495
2 20.028601  56.749747
$D
6
2 50.941768  18.526556
2 49.594740 -18.889947
2 16.323522  0.696089
2 14.465196 -0.778594
2 3.775330  -0.041443
2 3.501953   0.157055
$F 
2
2 11.950867  0.510841
2 17.810780 -1.051371
$*********************************************************************
$ Bromine atom
$ Q=25., MEFIT, MCDHF+Breit, Ref 36.
$ [36] K.A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg, J. Chem. Phys. 119, 11113 (2003).
$*********************************************************************
A 35
ECP 10 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
3
2 70.024257 49.962834
2 31.178412 370.014205
2 7.156593 10.241439
$P-G
4
2 46.773471 99.112244
2 46.184120 198.253046
2 21.713858 28.261740
2 20.941792 56.623366
$D-G
6
2 50.698839 -18.605853
2 50.644764 -27.923280
2 15.447509 -0.379693
2 15.500259 -0.780583
2 2.800391 0.035968
2 1.077480 0.094397
$F-G
2
2 14.465606 -1.091269
2 21.234065 -2.887691
$P
4
2 46.773471 -198.224488
2 46.184120  198.253046
2 21.713858 -56.523480
2 20.941792  56.623366
$D
6
2 50.698839  18.605853
2 50.644764 -18.615520
2 15.447509  0.379693
2 15.500259 -0.520389
2 2.800391  -0.035968
2 1.077480   0.062931
$F
2
2 14.465606  0.727513
2 21.234065 -1.443846
$*********************************************************************
$ Krypton atom
$ Q=26., MEFIT, MCDHF+Breit, Ref 36.
$ [36] K.A. Peterson, D. Figgen, E. Goll, H. Stoll, M. Dolg, J. Chem. Phys. 119, 11113 (2003).
$*********************************************************************
A 36
ECP 10 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
3
2 70.034410 49.953835
2 31.895971 369.978238
2 7.353728 10.054544
$P-G
4
2 47.265183 99.101833
2 46.664268 198.232524
2 23.008133 28.204670
2 22.100979 56.516792
$D-G
6
2 50.768165 -18.588877
2 50.782228 -27.875398
2 15.479497 -0.293411
2 15.559383 -0.469399
2 2.877154 0.068881
2 1.991196 0.132270
$F-G
2
2 15.437567 -1.223389
2 22.055742 -2.991233
$P
4
2 47.265183 -198.203666
2 46.664268  198.232524
2 23.008133 -56.409339
2 22.100979  56.516792
$D
6
2 50.768165  18.588877
2 50.782228 -18.583599
2 15.479497  0.293411
2 15.559383 -0.312933
2 2.877154  -0.068881
2 1.991196   0.088180
$F
2
2 15.437567  0.815593
2 22.055742 -1.495617
$*********************************************************************
