$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$ Gold atom
$ Q=19., MEFIT, MCDHF+Breit, Ref 37.
$ [37] D. Figgen, G. Rauhut, M. Dolg, H. Stoll, Chem. Phys. 311, 227 (2005).
$*********************************************************************
A 79
ECP 60 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
2
2 13.523218 426.641867
2 6.264384 36.800668
$P-H
4
2 11.413867 87.002091
2 10.329215 174.004370
2 5.707424 8.870610
2 4.828165 17.902438
$D-H
4
2 7.430963 49.883655
2 8.321990 74.684549
2 4.609642 6.486227
2 3.511507 9.546821
$F-H
2
2 3.084639 8.791640
2 3.024743 11.658456
$G-H
2
2 3.978442 -5.234337
2 4.011491 -6.738142
$P
4
2 11.413867 -174.004182
2 10.329215  174.004370
2  5.707424  -17.741219
2  4.828165   17.902438
$D
4
2  7.430963  -49.883655
2  8.321990   49.789700
2  4.609642   -6.486227
2  3.511507    6.364547
$F
2
2  3.084639   -5.861094
2  3.024743    5.829228
$G
2
2  3.978442    2.617169
2  4.011491   -2.695257
$*********************************************************************
$ Mercury atom
$ Q=20., MEFIT, MCDHF+Breit, Ref 37.
$ [37] D. Figgen, G. Rauhut, M. Dolg, H. Stoll, Chem. Phys. 311, 227 (2005).
$*********************************************************************
A 80
ECP 60 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
2
2 12.413071 275.774797
2 6.897913 49.267898
$P-H
4
2 11.310320 80.506984
2 10.210773 161.034824
2 5.939804 9.083416
2 5.019755 18.367773
$D-H
4
2 8.407895 51.137256
2 8.214086 76.707459
2 4.012612 6.561821
2 3.795398 9.818070
$F-H
2
2 3.273106 9.429001
2 3.208321 12.494856
$G-H
2
2 4.485296 -6.338414
2 4.513200 -8.099863
$P
4
2 11.310320 -161.013967
2 10.210773  161.034824
2  5.939804  -18.166832
2  5.019755   18.367773
$D
4
2  8.407895  -51.137256
2  8.214086   51.138306
2  4.012612   -6.561821
2  3.795398    6.545380
$F
2
2  3.273106   -6.286001
2  3.208321    6.247428
$G
2
2  4.485296    3.169207
2  4.513200   -3.239945
$*********************************************************************
$ Thallium atom
$ Q=21., MEFIT, MCDHF+Breit+QED, Ref 28.
$ [28] B. Metz, M. Schweizer, H. Stoll, M. Dolg, W. Liu, Theor. Chem. Acc. 104, 22 (2000).
$*********************************************************************
A 81
ECP 60 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
2
2 12.167805 281.284663
2 8.294909 62.434251
$P-H
4
2 7.151492 4.633408
2 5.172865 9.341756
2 9.891072 72.299253
2 9.003391 144.558037
$D-H
4
2 7.130218 35.943039
2 6.926906 53.909593
2 5.417570 10.381939
2 5.138681 15.583822
$F-H
4
2 5.626399 15.825488
2 5.548952 21.104021
2 2.874946 2.915127
2 2.821451 3.896903
$G-H
4
2 6.679057 -7.494534
2 6.706835 -9.540575
2 7.209284 -7.797992
2 7.070964 -9.259524
$P
4
2 7.151492   -9.266817
2 5.172865    9.341756
2 9.891072 -144.598506
2 9.003391  144.558037
$D
4
2  7.130218  -35.943039
2  6.926906   35.939729
2  5.417570  -10.381939
2  5.138681   10.389215
$F
4
2  5.626399  -10.550326
2  5.548952   10.552010
2  2.874946   -1.943418
2  2.821451    1.948451
$G
4
2  6.679057    3.747267
2  6.706835   -3.816230
2  7.209284    3.898996
2  7.070964   -3.703809
$*********************************************************************
$ Lead atom
$ 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 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
2
2 12.296303 281.285499
2 8.632634 62.520217
$P-H
4
2 10.241790 72.276897
2 8.924176 144.591083
2 6.581342 4.758693
2 6.255403 9.940621
$D-H
4
2 7.754336 35.848507
2 7.720281 53.724342
2 4.970264 10.115256
2 4.563789 14.833731
$F-H
2
2 3.887512 12.209892
2 3.811963 16.190291
$G-H
2
2 5.691577 -9.096665
2 5.715567 -11.531996
$P
4
2 10.241790  -144.553795
2  8.924176   144.591083
2  6.581342    -9.517385
2  6.255403     9.940621
$D
4
2  7.754336   -35.848507
2  7.720281    35.816228
2  4.970264   -10.115256
2  4.563789     9.889154
$F
2
2  3.887512    -8.139928
2  3.811963     8.095145
$G
2
2  5.691577     4.548332
2  5.715567    -4.612798
$*********************************************************************
$ Bismuth atom
$ Q=23., MEFIT, MCDHF+Breit+QED, Ref 29.
$ [29] B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000).
$*********************************************************************
A 83
ECP 60 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
2
2 13.043090 283.264227
2 8.221682 62.471959
$P-H
4
2 10.467777 72.001499
2 9.118901 144.002277
2 6.754791 5.007945
2 6.252592 9.991550
$D-H
4
2 8.081474 36.396259
2 7.890595 54.597664
2 4.955556 9.984294
2 4.704559 14.981485
$F-H
2
2 4.214546 13.713383
2 4.133400 18.194308
$G-H
2
2 6.205709 -10.247443
2 6.227782 -12.955710
$P
4
2 10.467777  -144.002998
2  9.118901   144.002277
2  6.754791   -10.015890
2  6.252592     9.991550
$D
4
2  8.081474   -36.396259
2  7.890595    36.398443
2  4.955556    -9.984294
2  4.704559     9.987657
$F
2
2  4.214546    -9.142256
2  4.133400     9.097154
$G
2
2  6.205709     5.123722
2  6.227782    -5.182284
$*********************************************************************
$ Polonium 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 84
ECP 60 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
2
2 13.277227 283.244706
2 8.399518 62.396461
$P-H
4
2 10.665682 71.991716
2 9.283753 143.971871
2 6.872749 4.949615
2 6.326150 9.740499
$D-H
4
2 8.214866 36.378383
2 8.008696 54.562715
2 5.055227 9.889499
2 4.782553 14.693877
$F-H
4
2 5.013270 17.428295
2 4.984640 23.380353
2 1.326760 0.163392
2 1.528758 0.324566
$G-H
2
2 6.771526 -11.563294
2 6.777925 -14.509788
$P
4
2 10.665682 -143.983431
2  9.283753  143.971871
2  6.872749   -9.899231
2  6.326150    9.740499
$D
4
2  8.214866  -36.378383
2  8.008696   36.375143
2  5.055227   -9.889499
2  4.782553    9.795918
$F
4
2  5.013270  -11.618863
2  4.984640   11.690177
2  1.326760   -0.108928
2  1.528758    0.162283
$G
2
2  6.771526    5.781647
2  6.777925   -5.803915
$*********************************************************************
$ Astatine 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 85
ECP 60 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
3
2 30.200832 49.957158
2 13.612306 283.210371
2 8.529340 62.281052
$P-H
4
2 10.854065 71.982371
2 9.468229 143.903532
2 7.031114 4.871759
2 6.143858 8.983059
$D-H
4
2 8.313515 36.363237
2 7.998965 54.548970
2 5.179966 9.776285
2 4.942226 14.264755
$F-H
4
2 5.812163 19.870198
2 5.753715 26.416452
2 2.513472 0.994970
2 2.536261 1.490701
$G-H
4
2 9.895778 -22.223203
2 9.737334 -26.715476
2 3.013331 -0.373044
2 3.097763 -0.485946
$P
4
2 10.854065 -143.964741
2  9.468229  143.903532
2  7.031114   -9.743517
2  6.143858    8.983059
$D
4
2  8.313515  -36.363237
2  7.998965   36.365980
2  5.179966   -9.776285
2  4.942226    9.509836
$F
4
2  5.812163  -13.246798
2  5.753715   13.208226
2  2.513472   -0.663314
2  2.536261    0.745351
$G
4
2  9.895778   11.111601
2  9.737334  -10.686190
2  3.013331    0.186522
2  3.097763   -0.194378
$*********************************************************************
$ Radon 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 86
ECP 60 6 4
$H-Komponente
1
2 1.000000 0.000000
$S-H
3
2 30.151242 49.965551
2 14.521241 283.070000
2 8.052038 62.002870
$P-H
4
2 11.009942 71.969119
2 9.617625 143.860559
2 7.336008 4.714761
2 6.406253 9.013065
$D-H
4
2 8.369220 36.368365
2 8.116975 54.551761
2 5.353656 9.634487
2 5.097212 14.387902
$F-H
4
2 6.348571 21.797290
2 6.295949 28.946805
2 2.882118 1.447365
2 2.908048 2.177964
$G-H
4
2 11.015205 -25.228095
2 10.909853 -30.566121
2 3.482761 -0.574800
2 3.600418 -0.779538
$P
4
2 11.009942 -143.938238
2  9.617625  143.860559
2  7.336008   -9.429523
2  6.406253    9.013065
$D
4
2  8.369220  -36.368365
2  8.116975   36.367841
2  5.353656   -9.634487
2  5.097212    9.591935
$F
4
2  6.348571  -14.531526
2  6.295949   14.473402
2  2.882118   -0.964910
2  2.908048    1.088982
$G
4
2 11.015205   12.614048
2 10.909853  -12.226448
2  3.482761    0.287400
2  3.600418   -0.311815
$*********************************************************************
