$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$ Lead atom
$ CHECKME 78? 60?
$ Q=22., MEFIT, MCDHF+Breit+QED, Ref 29.
$ [29] B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000).
$*********************************************************************
A 82
ECP 60 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 1.940106 35.775442
2 0.275063 -0.558568
$P-G
4
2 0.921930 2.609796
2 0.903965 5.553646
2 0.256555 -0.151563
2 0.189112 -0.090292
$D-G
2
2 0.664793 2.956364
2 0.621886 4.242489
$F-G
2
2 0.813760 -2.144958
2 0.779307 -2.666379
$P
4
2 0.921930  -5.219593
2 0.903965   5.553646
2 0.256555   0.303125
2 0.189112  -0.090292
$D
2
2 0.664793  -2.956364
2 0.621886   2.828326
$F
2
2 0.813760   1.429972
2 0.779307  -1.333190
$*********************************************************************
$ Bismuth atom
$ Q=5., MEFIT, MCDHF+Breit, Ref 32; CPP: alpha=2.778;delta=0.683;ncut=2.
$ [32] H. Stoll, B. Metz, M. Dolg, J. Comput. Chem. 23, 767 (2002).
$*********************************************************************
A 83
ECP 78 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 1.994153 35.755622
2 0.240286 -0.404113
$P-G
4
2 0.896039 2.688441
2 0.875463 5.715603
2 0.262580 -0.171255
2 0.232846 -0.150845
$D-G
2
2 0.779775 4.060445
2 0.739216 5.980282
$F-G
2
2 0.987519 -2.646547
2 0.959907 -3.373825
$P
4
2 0.896039  -5.376883
2 0.875463   5.715603
2 0.262580   0.342510
2 0.232846  -0.150845
$D
2
2 0.779775  -4.060445
2 0.739216   3.986855
$F
2
2 0.987519   1.764365
2 0.959907  -1.686912
$*********************************************************************
$ Polonium atom
$ Q=6., MEFIT, MCDHF+Breit, Ref 32; CPP: alpha=2.202;delta=0.772;ncut=2.
$ [32] H. Stoll, B. Metz, M. Dolg, J. Comput. Chem. 23, 767 (2002).
$*********************************************************************
A 84
ECP 78 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 1.672832 33.836638
2 0.801897 -4.153397
$P-G
4
2 1.509134 11.668120
2 1.387834 23.337130
2 0.748407 -1.377199
2 0.818678 -2.750372
$D-G
2
2 0.916242 5.484215
2 0.864955 7.933942
$F-G
2
2 1.060132 -2.638834
2 1.015093 -3.276141
$P
4
2 1.509134 -23.336239
2 1.387834  23.337130
2 0.748407   2.754399
2 0.818678  -2.750372
$D
2
2 0.916242  -5.484215
2 0.864955   5.289295
$F
2
2 1.060132   1.759223
2 1.015093  -1.638070
$*********************************************************************
$ Astatine atom
$ Q=7., MEFIT, MCDHF+Breit, Ref 32; CPP: alpha=1.793;delta=1.088;ncut=2.
$ [32] H. Stoll, B. Metz, M. Dolg, J. Comput. Chem. 23, 767 (2002).
$*********************************************************************
A 85
ECP 78 5 3
$G-Komponente
1
2 1.000000 0.000000
$S-G
3
2 10.000477 170.711378
2 1.820446 39.566776
2 0.974498 -5.535775
$P-G
4
2 1.422619 8.498949
2 1.341044 16.992620
2 0.612618 -0.764401
2 0.782494 -1.547005
$D-G
4
2 1.510849 8.176209
2 1.450286 12.490344
2 0.818349 2.197619
2 0.763317 3.064231
$F-G
2
2 1.147198 -2.686784
2 1.096491 -3.324656
$P
4
2 1.422619  -16.997899
2 1.341044   16.992620
2 0.612618    1.528803
2 0.782494   -1.547005
$D
4
2 1.510849   -8.176209
2 1.450286    8.326896
2 0.818349   -2.197619
2 0.763317    2.042820
$F
2
2 1.147198    1.791189
2 1.096491   -1.662328
$*********************************************************************
$ Francium atom
$ Q=9., MEFIT, MCDHF+Breit, Ref 38.
$ [38] I.S. Lim, P. Schwerdtfeger, B. Metz, H. Stoll, J. Chem. Phys. 122, 104103 (2005).
$*********************************************************************
A 87
ECP 78 6 4
$H-Komponente
1
2 1.0 0.0
$S-H
2
2 4.188321671 84.518087073
2 2.032715709 16.079176323
$P-H
4
2 5.275461936 52.351810585
2 5.084425053 104.705104394
2 2.146984148 8.877332659
2 1.733211698 18.091692784
$D-H
4
2 2.079148856 5.294775002
2 1.886428196 7.950402798
2 0.644610997 1.632423052
2 0.643592303 2.624185903
$F-H
4
2 4.414495881 -6.923464425
2 4.502002450 -9.021819016
2 0.901233517 -1.258463386
2 0.875093961 -1.639240217
$G-H
2
2 1.592432237 -4.127370571
2 1.562577006 -5.004549561
$P
4
2 5.275461936 -104.703621170
2 5.084425053  104.705104394
2 2.146984148  -17.754665318
2 1.733211698   18.091692784
$D 
4
2 2.079148856   -5.294775002
2 1.886428196    5.300268532
2 0.644610997   -1.632423052
2 0.643592303    1.749457269
$F 
4
2 4.414495881    4.615642950
2 4.502002450   -4.510909508
2 0.901233517    0.838975591
2 0.875093961   -0.819620108
$G 
2
2 1.592432237    2.063685286
2 1.562577006   -2.001819825
$*********************************************************************
$ Radium atom
$ Q=10., MEFIT, MCDHF+Breit, Ref 41.
$ [41] I.S. Lim, H. Stoll, P. Schwerdtfeger, J. Chem. Phys. 124, 034107 (2006).
$*********************************************************************
A 88
ECP 78 6 4
$H-Komponente
1
2 1.0 0.0
$S-H
2
2 4.050730190 84.553966136
2 2.183125393 16.570871174
$P-H
4
2 4.912257494 52.355105424
2 5.028625662 104.705297690
2 2.274507705 8.945169440
2 1.776652685 18.106864155
$D-H
4
2 1.863529799 5.300115757
2 1.603971106 7.970570122
2 0.690407250 1.680466360
2 0.732716750 2.824510060
$F-H
4
2 8.103105878 6.519691354
2 7.869446766 9.510581379
2 1.394055589 -2.922060062
2 1.337145152 -3.657363669
$G-H
2
2 1.857939793 -5.335911193
2 1.821609586 -6.450124889
$P
4
2 4.912257494 -104.710210847
2 5.028625662  104.705297690
2 2.274507705  -17.890338879
2 1.776652685   18.106864155
$D
4
2 1.863529799   -5.300115757
2 1.603971106    5.313713415
2 0.690407250   -1.680466360
2 0.732716750    1.883006707
$F 
4
2 8.103105878   -4.346460903
2 7.869446766    4.755290690
2 1.394055589    1.948040042
2 1.337145152   -1.828681835
$G 
2
2 1.857939793    2.667955597
2 1.821609586   -2.580049956
$*********************************************************************
