$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$ Ytterbium atom
$ Q=10., MEFIT, HF, Ref 11.
$ [11] M. Dolg, H. Stoll, A. Savin, H. Preuss, Theor. Chim. Acta 75, 173 (1989).
$*********************************************************************
A 70
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 9.022400 595.254325
2 4.511200 -5.675700
$P-G
2
2 7.572400 337.500494
2 3.786200 -3.679612
$D-G
2
2 4.750300 85.148886
2 2.375200 -3.471327
$F-G
1
2 1.386400 6.643897
$*********************************************************************
$ Lutetium atom
$ Q=11., MEFIT, HF, Ref 11.
$ [11] M. Dolg, H. Stoll, A. Savin, H. Preuss, Theor. Chim. Acta 75, 173 (1989).
$*********************************************************************
A 71
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 7.631500 299.806838
2 3.815700 -2.015183
$P-G
2
2 6.546300 177.414461
2 3.273100 0.695491
$D-G
2 
2 4.459700 59.213397
2 2.229800 -0.184093
$F-G
1
2 1.603000 8.264490
$*********************************************************************
$ Hafnium atom
$ Q=12., MEFIT, HF, Ref A6. 
$ Unpublished:
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 72
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 9.544248 414.044743
2 4.772124 23.114002
$P-G
2
2 8.312756 266.435575
2 4.156378 17.007062
$D-G
2
2 5.917185 95.282947
2 2.958593 7.100968
$F-G
1
2 1.838914 10.170034
$*********************************************************************
$ Tantalum atom
$ Q=13., MEFIT, HF, Ref A6.
$ Unpublished:
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 73
ECP 60 5 0
$G-Komponente    
1  
2 1.000000 0.000000
$S-G       
2  
2 9.971098 416.808127
2 5.032471 32.024236
$P-G
2
2 8.654696 264.844257
2 4.308857 22.340240
$D-G
2
2 6.192083 103.668783
2 3.096777 9.031538
$F-G
1
2 2.077241 12.163526
$*********************************************************************
$ Tungsten atom
$ Q=14., MEFIT, HF, Ref A6.
$ Unpublished:
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 74
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 10.397948 419.316690
2 5.292817 40.849895
$P-G
2
2 8.996636 265.446783
2 4.461337 26.769373
$D-G
2
2 6.466981 108.593005
2 3.234962 10.925905
$F-G
1
2 2.324692 14.323913
$*********************************************************************
$ Rhenium atom
$ Q=15., MEFIT, HF, Ref A6.
$ Unpublished:
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 75
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 10.824797 421.980136
2 5.553164 50.288371
$P-G
2
2 9.338576 265.200747
2 4.613816 30.595636
$D-G
2
2 6.741879 107.894845
2 3.373147 13.099634
$F-G
1
2 2.581188 16.651673
$*********************************************************************
$ Osmium atom
$ Q=16., MEFIT, HF, Ref A6.
$ Unpublished:
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 76
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2  
2 11.251647 424.426188
2 5.813511 57.445712
$P-G
2
2 9.680515 264.780766
2 4.766295 34.865615
$D-G
2
2 7.016777 111.972504
2 3.511332 14.172054
$F-G
1
2 2.846697 19.148016
$*********************************************************************
$ Iridium atom
$ Q=17., MEFIT, HF, Ref A6.
$ Unpublished:
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 77
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 11.678497 427.009930
2 6.073858 65.873588
$P-G
2
2 10.022455 264.227699
2 4.918775 38.007497
$D-G
2
2 7.291675 116.100829
2 3.649516 15.524348
$F-G
1
2 3.121124 21.813096
$*********************************************************************
$ Platinum atom
$ Q=18., MEFIT, HF, Ref A6.
$ Unpublished:
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 78
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2  
2 12.105346 429.694766
2 6.334204 73.648131
$P-G
2
2 10.364395 263.998633
2 5.071254 41.137556
$D-G
2
2 7.566573 108.894113
2 3.787701 18.117982
$F-G
1
2 3.404422 24.647713
$*********************************************************************
$ Gold atom
$ Q=19., MEFIT, HF, Ref 10.
$ [10] P. Schwerdtfeger, M. Dolg, W.H.E. Schwarz, G.A. Bowmaker, P.D.W. Boyd, J. Chem. Phys. 91, 1762 (1989).
$*********************************************************************
A 79
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 12.532196 432.047072
2 6.594551 81.627162
$P-G
2
2 10.706335 263.062122
2 5.223734 43.725251
$D-G
2
2 7.841471 124.243091
2 3.925886 17.676351
$F-G
2
2 4.728500 22.011203
2 3.007010 9.849459
$*********************************************************************
$ Mercury atom
$ Q=20., MEFIT, HF, Ref A6.
$ [A6] U. Haeussermann, Arbeitsbericht (1988)
$*********************************************************************
A 80
ECP 60 5 0
$G-Komponente
1
2 1.000000 0.000000
$S-G
2
2 12.959046 434.432254
2 6.854898 89.057494
$P-G
2
2 11.048275 263.987742
2 5.376213 46.420678
$D-G
2
2 8.116369 115.721656
2 4.064070 20.227296
$F-G
1
2 3.997428 30.827982
$*********************************************************************
$ Thallium atom
$ Q=21., MEFIT, HF, Ref 25.
$ [25] T. Leininger, A. Berning, A. Nicklass, H. Stoll, H.-J. Werner, H.-J. Flad, Chem. Phys. 217, 19 (1997).
$*********************************************************************
A 81
ECP 60 6 0
$H-Komponente
1
2 1.000000 0.000000
$S-H
2
2 11.246305 281.667125
2 6.392568 64.807097
$P-H
2
2 13.269000 210.825344
2 6.839513 114.226476
$D-H
2
2 27.009285 168.200567
2 6.329735 111.268386
$F-H
2
2 5.456261 39.677827
2 2.549363 4.010050
$G-H
1
2 2.975824 -5.208377
$*********************************************************************
$ Actinium atom
$ Q=29., MEFIT, HF, Ref A8.
$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 89
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 12.32979394 505.38456588
$P-H
1
2 10.14584718 284.95516462
$D-H
1
2 9.05115301 190.82486381
$F-H
1
2 7.05284087 80.38698732
$G-H  
1
2 11.02773233 -51.61524181
$*********************************************************************
$ Thorium atom
$ Q=30., MEFIT, HF, Ref A8.
$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 90
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 12.48462252 491.49652560
$P-H
1
2 10.07024673 266.54586874
$D-H
1
2 9.07662434 181.43995039
$F-H
1
2 7.07651840 74.09741023
$G-H
1
2 11.60902462 -55.12641906
$*********************************************************************
$ Protactinium atom
$ Q=31., MEFIT, HF, Ref A8.
$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 91
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 12.69375063 485.45409630
$P-H
1
2 9.97841431 249.94820945
$D-H
1
2 9.10172167 173.03771910
$F-H
1
2 7.06855129 68.06345081
$G-H
1
2 12.20105601 -57.63059989
$*********************************************************************
$ Uranium atom
$ Q=32., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 92
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 13.42248164 546.14029386
$P-H
1
2 9.85725097 233.00188514
$D-H
1
2 9.01601054 161.30018445
$F-H
1
2 7.04705709 62.70194748
$G-H
1
2 12.80408844 -60.12998958
$*********************************************************************
$ Neptunium atom
$ Q=33., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 93
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 13.69766504 546.86941340
$P-H
1
2 9.83431963 224.46494546
$D-H
1
2 8.97436374 152.87450266
$F-H
1
2 7.02834673 58.23303247
$G-H
1
2 13.41832253 -62.62618508
$*********************************************************************
$ Plutonium atom
$ Q=34., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 94
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 14.16961046 564.77128376
$P-H
1
2 9.68226806 212.29778588
$D-H
1
2 9.01389445 148.20097153
$F-H
1
2 7.09168408 55.74819625
$G-H
1
2 14.04399655 -65.12121611
$*********************************************************************
$ Americium atom
$ Q=35., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 95
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 14.73574430 606.55783087
$P-H
1
2 9.86412930 214.97737423
$D-H
1
2 8.74579931 135.03745517
$F-H
1
2 6.97773373 50.27995138
$G-H
1
2 14.68133289 -67.61694208
$*********************************************************************
$ Curium atom
$ Q=36., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 96
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 15.39210724 649.78364770
$P-H
1
2 9.77945970 207.60721267
$D-H
1
2 8.84981493 134.54646167
$F-H
1
2 7.05466406 49.08963346
$G-H
1
2 15.33052565 -70.11497550
$*********************************************************************
$ Berkelium atom
$ Q=37., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 97
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 16.05614347 698.65682338
$P-H
1
2 10.10875105 216.55016873
$D-H
1
2 8.71381594 128.35024628
$F-H
1
2 7.03343312 47.07954408
$G-H
1
2 15.99180528 -72.61718880
$*********************************************************************
$ Califonium atom
$ Q=38., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 98
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 16.58595471 723.08180047
$P-H
1
2 9.73926875 202.56160151
$D-H
1
2 8.96489363 131.25389409
$F-H
1
2 7.06685216 45.05016795
$G-H
1
2 16.66536973 -75.12525493
$*********************************************************************
$ Einsteinium atom
$ Q=39., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A 99
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 17.33635174 777.20784636
$P-H
1
2 9.48240722 196.73165817
$D-H
1
2 9.18734383 133.20637160
$F-H
1
2 6.98759082 41.74411095
$G-H
1
2 17.35145618 -77.64107478
$*********************************************************************
$ Fermium atom
$ Q=40., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A100
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 18.49960977 900.74749666
$P-H
1
2 9.65703981 202.53095433
$D-H
1
2 9.17729629 131.11011054
$F-H
1
2 6.98327686 40.42648834
$G-H
1
2 18.05016051 -80.16520155
$*********************************************************************
$ Mendelevium atom
$ Q=41., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A101
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 20.13414594 1099.36538763
$P-H
1
2 9.33459127 200.48676792
$D-H
1
2 9.20880615 128.09830257
$F-H
1
2 6.77986954 36.10747388
$G-H
1
2 18.76179172 -82.70015285
$*********************************************************************
$ Nobelium atom
$ Q=42., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A102
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 21.42033397 1250.51860396
$P-H
1
2 9.15439921 203.24267307
$D-H
1
2 9.26045256 126.40548204
$F-H
1
2 6.72250366 33.90391404
$G-H
1
2 19.48652544 -85.24736741
$*********************************************************************
$ Lawrencium atom
$ Q=43., MEFIT, HF, Ref A8.$ Unpublished:
$ [A8] W. Kuechle, Diplomarbeit (1993)
$*********************************************************************
A103
ECP 60 6 0
$H-Komponente
1
2 1.00000000 0.00000000
$S-H
1
2 23.86980283 1799.76526305
$P-H
1
2 10.11831358 220.97953761
$D-H
1
2 9.07102501 125.17735956
$F-H
1
2 7.08752100 38.23741718
$G-H
1
2 20.22453342 -87.80798252
$*********************************************************************
