$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$*********************************************************************
$ Lanthanum atom
$ Q=29., MEFIT, WB, Xiaoyan Cao, Michael Dolg, Uni. Bonn (2000), Ref 31.
$ References:# [31] X. Cao, M. Dolg, J. Chem. Phys. 115, 7348 (2001) cf. also X. Cao, M. Dolg, J. Molec. Struct. (Theochem) 581, 139 (2002).
$*********************************************************************
A 57
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 19.441418 585.201953
$P-H
1
2 16.016353 330.109510
$D-H
1
2 15.128259 186.058232
$F-H
1
2 23.103875 -49.433352
$G-H
1
2 15.639020 -20.123020
$P
1
2 16.016353 15.133771
$D
1
2 15.128259 3.079744
$F
1
2 23.103875 0.376372
$*********************************************************************
$ Cerium atom
$ Q=30., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989).
$*********************************************************************
A 58
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 20.137829 580.083457
$P-H
1
2 15.998482 310.302833
$D-H
1
2 14.974187 167.813944
$F-H
1
2 23.402455 -49.390229
$G-H
1
2 16.570553 -21.331879
$P
1
2 15.998482  27.946113
$D
1
2 14.974187  2.669284
$F
1
2 23.402455  0.385273
$*********************************************************************
$ Praseodymium atom
$ Q=31., MEFIT, HF, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989).
$*********************************************************************
A 59
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 20.766278 577.573122
$P-H
1
2 16.078448 295.785846
$D-H
1
2 14.705089 150.867055
$F-H
1
2 23.378969 -48.736766
$G-H
1
2 17.447138 -22.329488
$P
1
2 16.078448  25.828912
$D
1
2 14.705089  2.291761
$F
1
2 23.378969  0.382218
$*********************************************************************
$ Neodymium atom
$ Q=32., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989).
$*********************************************************************
A 60
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 21.352267 574.370980
$P-H
1
2 16.119265 280.946440
$D-H
1
2 14.494103 138.670627
$F-H
1
2 23.183860 -47.522668
$G-H
1
2 18.344174 -23.344587
$P
1
2 16.119265  23.507013
$D
1
2 14.494103  2.024893
$F
1
2 23.183860  0.375513
$*********************************************************************
$ Promethium atom
$ Q=33., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989).
$*********************************************************************
A 61
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 21.942865 575.395749
$P-H
1
2 16.555161 281.704514
$D-H
1
2 13.960308 123.524737
$F-H
1
2 24.033546 -50.741511
$G-H
1
2 19.260245 -24.372510
$P
1
2 16.555161  23.324801
$D
1
2 13.960308  1.698336
$F
1
2 24.033546  0.397669
$*********************************************************************
$ Samarium atom
$ Q=34., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989).
$*********************************************************************
A 62
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 22.344471 572.985332
$P-H
1
2 16.694590 272.359145
$D-H
1
2 13.727705 115.293900
$F-H
1
2 24.059092 -51.108392
$G-H
1
2 20.197249 -25.421885
$P
1
2 16.694590  21.531891
$D
1
2 13.727705  1.524511
$F
1
2 24.059092  0.396341
$*********************************************************************
$ Europium atom
$ Q=35., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 63
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 23.471384 607.659331
$P-H
1
2 16.772479 264.385476
$D-H
1
2 13.981343 115.381375
$F-H
1
2 23.962888 -49.400794
$G-H
1
2 21.232458 -26.748273
$P
1
2 16.772479  19.869243
$D
1
2 13.981343  1.523881
$F
1
2 23.962888  0.399191
$*********************************************************************
$ Gadolinium atom
$ Q=36., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 64
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 24.602151 637.200869
$P-H
1
2 16.889250 261.689601
$D-H
1
2 13.643358 106.856533
$F-H
1
2 24.126917 -50.683590
$G-H
1
2 22.131887 -27.579630
$p
1
2 16.889250  19.009383
$d
1
2 13.643358  1.347430
$f
1
2 24.126917  0.402478
$*********************************************************************
$ Terbium atom
$ Q=37., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 65
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 24.952956 668.597155
$P-H
1
2 17.610899 266.980475
$D-H
1
2 12.976009 97.506596
$F-H
1
2 24.248869 -52.175757
$G-H
1
2 23.130672 -28.694268
$P
1
2 17.610899  18.936193
$D
1
2 12.976009  1.158835
$F
1
2 24.248869  0.404348
$*********************************************************************
$ Dysprosium atom
$ Q=38., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 66
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 26.429586 705.671221
$P-H
1
2 17.317034 254.866989
$D-H
1
2 12.913599 95.045187
$F-H
1
2 24.907878 -54.574093
$G-H
1
2 24.148753 -29.828277
$P
1
2 17.317034  16.215265
$D
1
2 12.913599  1.109013
$F
1
2 24.907878  0.424683
$*********************************************************************
$ Holmium atom
$ Q=39., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 67
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 28.397257 755.703136
$P-H
1
2 17.438633 253.551998
$D-H
1
2 12.434212 89.635677
$F-H
1
2 25.387010 -55.482036
$G-H
1
2 25.188501 -30.991125
$p
1
2 17.438633  15.091851
$d
1
2 12.434212  1.004510
$f
1
2 25.387010  0.444306
$*********************************************************************
$ Erbium atom
$ Q=40., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 68
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 29.798592 800.952876
$P-H
1
2 18.114237 262.019869
$D-H
1
2 11.369587 80.170552
$F-H
1
2 21.821233 -42.336285
$G-H
1
2 26.250735 -32.185278
$P
1
2 18.114237  15.473327
$D
1
2 11.369587  0.836588
$F
1
2 21.821233  0.367062
$*********************************************************************
$ Thulium atom
$ Q=41., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 69
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 31.144122 845.510743
$P-H
1
2 18.092353 258.585239
$D-H
1
2 11.469159 80.729059
$F-H
1
2 23.605544 -48.701266
$G-H
1
2 27.329781 -33.395496
$
1
2 18.092353  13.708705
$
1
2 11.469159  0.845369
$
1
2 23.605544  0.414123
$*********************************************************************
$ Ytterbium atom
$ Q=42., MEFIT, WB, Ref 9.
$ [9] M. Dolg, H. Stoll, H. Preuss, J. Chem. Phys. 90, 1730 (1989)
$*********************************************************************
A 70
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 32.424484 891.013777
$P-H
1
2 18.656232 264.036953
$D-H
1
2 10.490222 73.923919
$F-H
1
2 20.774183 -39.592173
$G-H
1
2 28.431028 -34.638638
$P
1
2 18.656232  13.333264
$D
1
2 10.490222  0.736608
$F
1
2 20.774183  0.357904
$*********************************************************************
$ Lutetium atom
$ Q=43., MEFIT, WB, Xiaoyan Cao, Michael Dolg, Uni. Bonn (2000), Ref 31.
$ [31] X. Cao, M. Dolg, J. Chem. Phys. 115, 7348 (2001) cf. also X. Cao, M. Dolg, J. Molec. Struct. (Theochem) 581, 139 (2002).
$*********************************************************************
A 71
ECP 28 6 3
$H-Komponente
1
2 1.000000 0.000000
$S-H
1
2 35.162097 989.995584
$P-H
1
2 19.464402 278.865652
$D-H
1
2 10.006865 71.009178
$F-H
1
2 23.517932 -47.405890
$G-H
1
2 29.412238 -35.557146
$P
1
2 19.464402  14.966673 
$D 
1
2 10.006865  0.697117
$F
1
2 23.517932  0.431491
$**************************************************************************
