$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$ ECPCE36                                                            *
$ Y,Zr,Nb,Mo,Tc,Ru,Rh,Pd,Ag,Cd,In,Sn,Sb,Te,I,Xe                      *
$*********************************************************************
$ Yttrium atom
$ Y, 36 el. core, 3 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 39
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$      f           
  6
    2        .403100        -.388144
    2        .954600       -3.854776
    2       2.478500       -9.365510
    2       7.709300      -39.124205
    2      23.465800      -93.549848
    1      73.732600      -25.218705
$         s-f         
  7
    2        .524300      -27.568723
    2        .611400       80.272772
    2        .803300     -101.278064
    2        .996800       67.889153
    2       3.880000       37.908857
    1       8.831500       34.859486
    0      22.290000        3.965604
$         p-f         
  7
    2        .689200      127.967532
    2        .814300     -265.123054
    2       1.081500      258.526427
    2       1.519400     -181.089623
    2       2.092700       94.941289
    1       6.040600       16.679020
    0       7.350900        5.708453
$         d-f         
  7
    2        .230900        -.185406
    2       1.298200       22.322004
    2       1.514100      -70.949512
    2       1.998900      131.669031
    2       2.567300     -108.045071
    1       4.386300       11.550354
    0       1.971000        7.161091
$spin-orbit operator
$         p-f         
  7
    2        .689200       14.084834
    2        .814300      -32.479374
    2       1.081500       32.316344
    2       1.519400      -21.991474
    2       2.092700        7.966312
    1       6.040600        -.706206
    0       7.350900         .055676
$         d-f         
  7
    2        .230900        -.002631
    2       1.298200         .885658
    2       1.514100       -2.402299
    2       1.998900        3.656327
    2       2.567300       -2.460622
    1       4.386300         .133039
    0       1.971000        -.014496
$      f           
  6
    2        .403100        -.002255
    2        .954600         .004177
    2       2.478500        -.000719
    2       7.709300         .002589
    2      23.465800         .101581
    1      73.732600         .229447
$*********************************************************************
$ Zirconium atom
$ Zr, 36 el. core, 4 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 40
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .508500        -.653339
    2       1.259900       -5.426954
    2       3.859300      -15.365554
    2      12.275500      -64.252109
    1      38.517600      -23.127315
$         s-f         
  7
    2        .677900      -60.998077
    2        .792300      189.740233
    2       1.040600     -245.028447
    2       1.446300      219.893110
    2       1.962000     -110.716156
    1       2.626600       24.828603
    0      10.835600        3.390291
$         p-f         
  7
    2        .785600      139.578337
    2        .934000     -287.816413
    2       1.249400      279.625578
    2       1.772100     -194.228549
    2       2.471300      104.419594
    1       7.062800       16.832501
    0       8.154900        5.690843
$         d-f         
  7
    2        .096700         .000482
    2        .241500        -.176140
    2       2.063500      -43.042250
    2       2.502600      130.940322
    2       3.203600     -109.386761
    1       5.271200       13.357795
    0       3.538100        6.978296
$spin-orbit operator
$         p-f         
  7
    2        .785600        9.717406
    2        .934000      -21.960220
    2       1.249400       19.585752
    2       1.772100      -11.538632
    2       2.471300        3.492720
    1       7.062800        -.322752
    0       8.154900         .008364
$         d-f         
  7
    2        .096700        -.000519
    2        .241500        -.001139
    2       2.063500        -.433539
    2       2.502600        1.470026
    2       3.203600       -1.215887
    1       5.271200         .045891
    0       3.538100        -.004074
$      f        
  5
    2        .508500        -.004017
    2       1.259900         .000107
    2       3.859300        -.054445
    2      12.275500        -.070534
    1      38.517600         .128029
$*********************************************************************
$ Niobium atom
$ Nb, 36 el. core, 5 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 41
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .653900       -1.186315
    2       1.740100       -7.808447
    2       6.603600      -31.780580
    2      22.665100     -104.862030
    1      86.969400      -27.511325
$         s-f         
  7
    2        .738200      -62.148174
    2        .856500      190.850887
    2       1.114000     -243.216088
    2       1.531300      221.003809
    2       2.065700     -114.931210
    1       2.501900       28.062577
    0      10.753300        3.426694
$         p-f         
  7
    2        .887600      151.045952
    2       1.064600     -307.148621
    2       1.445800      293.110349
    2       2.090000     -199.332522
    2       2.998500      112.109560
    1       8.679200       16.486144
    0       8.910000        5.683679
$         d-f         
  7
    2        .648300         .236830
    2        .284900        -.236739
    2       1.364300       21.644777
    2       1.461200      -54.170316
    2       1.668800       41.121329
    1       7.643700       11.944309
    0       6.684800        7.144710
$spin-orbit operator
$         p-f         
  7
    2        .887600       16.529924
    2       1.064600      -37.671834
    2       1.445800       35.210854
    2       2.090000      -22.339756
    2       2.998500        7.869724
    1       8.679200        -.735294
    0       8.910000         .047534
$         d-f         
  7
    2        .648300         .088398
    2        .284900        -.010962
    2       1.364300       -6.924443
    2       1.461200       10.391527
    2       1.668800       -3.526896
    1       7.643700        -.117506
    0       6.684800         .013387
$      f        
  5
    2        .653900        -.005685
    2       1.740100         .012364
    2       6.603600        -.060139
    2      22.665100         .190715
    1      86.969400         .271827
$*********************************************************************
$ Molybdenum atom
$ Mo, 36 el. core, 6 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 42
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .678400        -.978516
    2       1.735900       -7.127298
    2       5.994900      -24.652163
    2      19.343000      -89.418600
    1      66.900200      -25.306897
$         s-f         
  7
    2        .831200      -67.007371
    2        .971700      212.170385
    2       1.281300     -271.792394
    2       1.797200      243.672556
    2       2.470500     -122.492267
    1       3.402200       27.535817
    0      14.034200        3.309366
$         p-f         
  7
    2        .667200      -47.978746
    2        .764800      172.932162
    2        .942100     -230.605007
    2       1.165600      133.045918
    2       2.485700      -23.995468
    1       2.935900       25.510081
    0       9.794700        5.349644
$         d-f         
  7
    2        .089000        -.000254
    2        .316300        -.253564
    2       2.151300      -49.080429
    2       2.932200      143.461772
    2       3.748200     -139.967621
    1       5.983200       13.826974
    0       1.196500        6.990664
$spin-orbit operator
$         p-f         
  7
    2        .667200       -3.283614
    2        .764800       15.364146
    2        .942100      -24.578508
    2       1.165600       13.383618
    2       2.485700       -2.453094
    1       2.935900         .017992
    0       9.794700        -.066926
$         d-f         
  7
    2        .089000        -.000361
    2        .316300        -.002063
    2       2.151300        -.318858
    2       2.932200        1.789536
    2       3.748200       -1.775422
    1       5.983200         .035851
    0       1.196500        -.001026
$      f        
  5
    2        .678400        -.004813
    2       1.735900         .018718
    2       5.994900        -.002430
    2      19.343000         .132615
    1      66.900200         .220598
$*********************************************************************
$ Technetium atom
$ Tc, 36 el. core, 7 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 43
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .700500        -.794723
    2       1.723800       -6.377967
    2       5.296600      -18.395581
    2      16.522400      -75.563282
    1      52.402200      -23.712507
$         s-f         
  7
    2        .893700      -65.769211
    2       1.041500      210.012688
    2       1.362900     -267.636572
    2       1.899200      243.096949
    2       2.601300     -123.481340
    1       3.418400       29.384080
    0      13.777400        3.367980
$         p-f         
  7
    2        .761100      -62.084715
    2        .870000      202.833733
    2       1.112600     -269.542746
    2       1.523600      247.413181
    2       1.975700     -117.692098
    1       2.912700       25.420369
    0      10.047500        5.316985
$         d-f         
  7
    2        .289800        -.141506
    2        .905400       -7.070952
    2       1.202100       38.744729
    2       1.525400      -74.019491
    2       1.980800       56.814571
    1      11.477000       16.016594
    0      10.156700        6.782462
$spin-orbit operator
$         p-f         
  7
    2        .761100       -4.600182
    2        .870000       19.837878
    2       1.112600      -32.779090
    2       1.523600       28.370506
    2       1.975700      -12.495876
    1       2.912700         .034554
    0      10.047500        -.065086
$         d-f         
  7
    2        .289800        -.007998
    2        .905400         .376272
    2       1.202100       -1.506489
    2       1.525400        1.928916
    2       1.980800        -.731805
    1      11.477000        -.322294
    0      10.156700         .032621
$      f        
  5
    2        .700500        -.005451
    2       1.723800         .024944
    2       5.296600         .028205
    2      16.522400         .127552
    1      52.402200         .179040
$*********************************************************************
$ Ruthenium atom
$ Rh, 36 el. core, 8 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 44
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .768900        -.843802
    2       1.888100       -6.691244
    2       5.834800      -19.533928
    2      18.125800      -79.454790
    1      57.637100      -23.905577
$         s-f         
  7
    2        .991100      -71.565225
    2       1.141600      228.003540
    2       1.464800     -284.921822
    2       1.993000      254.734445
    2       2.649100     -129.974243
    1       3.197200       27.736591
    0      12.944500        3.390431
$         p-f         
  7
    2        .796700      -29.943958
    2        .921600      113.427847
    2       1.208700     -152.272157
    2       1.713400      142.091083
    2       2.428200      -67.733928
    1       3.448600       27.246611
    0      11.522600        5.291899
$         d-f         
  7
    2        .239700        -.019484
    2        .422700        -.351891
    2       1.515700       20.845666
    2       1.811300      -59.393927
    2       2.253100       53.669865
    1      11.239800       14.556512
    0       9.818100        6.936321
$spin-orbit operator
$         p-f         
  7
    2        .796700       -2.913026
    2        .921600       13.209344
    2       1.208700      -22.491422
    2       1.713400       18.795534
    2       2.428200       -8.917030
    1       3.448600         .120282
    0      11.522600        -.080438
$         d-f         
  7
    2        .239700        -.006914
    2        .422700         .012299
    2       1.515700        -.489650
    2       1.811300         .915280
    2       2.253100        -.330186
    1      11.239800        -.298508
    0       9.818100         .029631
$      f        
  5
    2        .768900        -.006517
    2       1.888100         .018691
    2       5.834800        -.019970
    2      18.125800         .070655
    1      57.637100         .203518
$*********************************************************************
$ Rhodium atom
$ Rh, 36 el. core, 9 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 45
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .845800        -.924496
    2       2.083900       -7.141871
    2       6.527300      -21.235776
    2      20.226700      -85.087994
    1      64.990400      -24.243014
$         s-f         
  7
    2       1.065800      -77.586917
    2       1.216700      240.803178
    2       1.535300     -278.741068
    2       2.083600      215.335731
    2       2.962300     -114.765075
    1       3.096600       36.795774
    0      15.238500        3.335530
$         p-f         
  7
    2        .896300      -59.615091
    2       1.036500      208.176072
    2       1.345900     -285.843081
    2       1.865300      259.176672
    2       2.500200     -118.676046
    1       3.805500       28.717847
    0      13.410600        5.178185
$         d-f         
  7
    2        .486300        -.354538
    2        .264600        -.038878
    2       2.986500      -83.945212
    2       3.982500      205.585428
    2       5.475500     -192.868875
    1       8.452300       18.639743
    0       1.476500        6.652494
$spin-orbit operator
$         p-f         
  7
    2        .896300       -6.338842
    2       1.036500       25.645732
    2       1.345900      -41.523170
    2       1.865300       34.243456
    2       2.500200      -14.433400
    1       3.805500         .156652
    0      13.410600        -.071498
$         d-f         
  7
    2        .486300         .007201
    2        .264600        -.005337
    2       2.986500        -.840669
    2       3.982500        3.508756
    2       5.475500       -3.544587
    1       8.452300         .190770
    0       1.476500        -.012447
$      f        
  5
    2        .845800        -.006447
    2       2.083900         .025810
    2       6.527300         .013356
    2      20.226700         .126957
    1      64.990400         .234053
$*********************************************************************
$ Palladium atom
$ Pd, 36 el. core, 10 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 46
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2        .988100       -1.461148
    2       2.629400       -9.507231
    2      10.258200      -41.770365
    1      29.559200      -21.681323
$      s-f         
  6
    2       1.567800      170.326366
    2       1.892900     -308.215210
    2       2.563700      278.719707
    2       3.516400     -136.468624
    1       4.761600       32.850061
    0      18.320700        3.320018
$         p-f      
  6
    2       1.107400      104.993040
    2       1.344400     -201.673979
    2       1.823200      191.113688
    2       2.478200      -89.625848
    1       3.498100       28.297565
    0      12.457300        5.313970
$      d-f         
  6
    2        .252000        -.061951
    2        .690400       -1.105036
    2       1.756100      -16.169296
    2       2.830600       17.753338
    1       1.046000        6.824406
    0      10.499600        7.955712
$spin-orbit operator
$         p-f      
  6
    2       1.107400       15.055776
    2       1.344400      -40.265474
    2       1.823200       50.414982
    2       2.478200      -29.243642
    1       3.498100        2.385404
    0      12.457300        -.243970
$      d-f         
  6
    2        .252000        -.004921
    2        .690400         .055432
    2       1.756100         .447272
    2       2.830600         .422425
    1       1.046000        -.333877
    0      10.499600         .015067
$   f        
  4
    2        .988100        -.008517
    2       2.629400         .010014
    2      10.258200        -.155711
    1      29.559200         .126417
$*********************************************************************
$ Silver atom
$ Ag, 36 el. core, 11 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 47
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       1.070800       -1.545709
    2       2.852000       -9.913276
    2      11.170800      -44.193671
    1      32.341800      -21.826279
$      s-f         
  6
    2       1.654000      171.232809
    2       1.991600     -307.324791
    2       2.690400      280.427361
    2       3.732900     -153.773878
    1       4.361000       40.922113
    0      18.486500        3.483610
$      p-f         
  6
    2       1.219700      123.847408
    2       1.488400     -238.366383
    2       2.043300      222.445526
    2       2.822800     -103.420565
    1       4.097900       30.840427
    0      15.147400        5.187270
$      d-f         
  6
    2        .293900        -.094469
    2        .925000       -3.486984
    2       2.097900      -38.787941
    2       2.529400       34.734715
    1       1.063700        9.891554
    0      10.939400        7.726564
$spin-orbit operator
$      p-f         
  6
    2       1.219700       21.408088
    2       1.488400      -47.432664
    2       2.043300       40.444502
    2       2.822800      -18.116278
    1       4.097900         .533228
    0      15.147400        -.107864
$      d-f         
  6
    2        .293900        -.005872
    2        .925000         .117388
    2       2.097900        -.082768
    2       2.529400         .752049
    1       1.063700        -.252208
    0      10.939400         .013106
$   f        
  4
    2       1.070800        -.008895
    2       2.852000         .022219
    2      11.170800        -.117874
    1      32.341800         .141579
$*********************************************************************
$ Cadmium atom
$ Cd, 36 el. core, 12 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 48
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       1.207900       -1.770061
    2       3.176700      -10.568597
    2      12.616300      -49.035676
    1      36.904900      -22.091350
$      s-f         
  6
    2        .806200       31.958779
    2        .932000     -104.650226
    2       1.180800      173.251184
    2       1.521800     -104.914182
    1       2.083500       23.641065
    0      11.306500        3.908068
$      p-f         
  6
    2        .947500      -41.685654
    2       1.102400      145.678085
    2       1.440000     -189.842506
    2       1.904500      125.718534
    1       7.302500       31.133788
    0      19.805900        5.277714
$      d-f         
  6
    2        .543400        -.529760
    2       1.575700       -5.009638
    2       1.822500      -15.284320
    2       2.541400        6.599100
    1       1.300100       11.883126
    0      10.564200        7.847899
$spin-orbit operator
$      p-f         
  6
    2        .947500       -2.573442
    2       1.102400       13.695590
    2       1.440000      -22.850416
    2       1.904500       11.441280
    1       7.302500       -1.091414
    0      19.805900         .115214
$      d-f         
  6
    2        .543400         .002709
    2       1.575700       -8.685466
    2       1.822500       11.315837
    2       2.541400       -8.700626
    1       1.300100        2.435470
    0      10.564200        -.130435
$   f        
  4
    2       1.207900        -.009590
    2       3.176700         .039089
    2      12.616300        -.117955
    1      36.904900         .175539
$*********************************************************************
$ Indium atom
$ In, 36 el. core, 13 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 49
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       1.346000       -1.940562
    2       3.568300      -11.479550
    2      14.118000      -53.805042
    1      41.569700      -22.347597
$      s-f         
  6
    2        .195200         .073655
    2       1.175300      -59.160390
    2       1.405200      180.885599
    2       1.704700     -114.790769
    1       2.886000       15.046673
    0       4.416200        6.868906
$      p-f         
  6
    2        .826600      -75.745477
    2       1.041900      171.163975
    2       1.357000     -196.065495
    2       1.706200       87.764811
    1        .604800       24.379461
    0       7.748400        5.669781
$      d-f         
  6
    2        .828400       -1.618247
    2       1.471300        2.521162
    2       2.417200      -42.731027
    2       3.161200       41.485427
    1       1.453600        8.598869
    0      13.239800        7.803320
$spin-orbit operator
$      p-f         
  6
    2        .826600        2.120738
    2       1.041900        3.800688
    2       1.357000      -16.934598
    2       1.706200       15.830430
    1        .604800       -1.062890
    0       7.748400         .220734
$      d-f         
  6
    2        .828400        -.279054
    2       1.471300        2.313937
    2       2.417200       -4.725609
    2       3.161200        6.287646
    1       1.453600       -1.113192
    0      13.239800         .098261
$   f        
  4
    2       1.346000        -.010096
    2       3.568300         .040333
    2      14.118000        -.086295
    1      41.569700         .187786
$*********************************************************************
$ Tin atom
$ Sn, 36 el. core, 14 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 50
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       1.490800       -2.081505
    2       3.967000      -12.325944
    2      15.617600      -58.333052
    1      46.377600      -22.599821
$      s-f         
  6
    2        .875000        4.671223
    2       1.079300     -101.409173
    2       1.319600      153.434593
    2       1.616700      -99.635576
    1        .893300       42.692116
    0      13.349600        3.706720
$      p-f         
  6
    2        .934200      -89.443164
    2       1.167100      188.957163
    2       1.571600     -210.161733
    2       1.999300       98.578404
    1        .672600       24.451550
    0       8.515100        5.682327
$      d-f         
  6
    2       1.239200      -20.615364
    2       1.677500       39.183590
    2       2.418800      -76.068741
    2       3.309400       59.033648
    1       1.007800        8.337386
    0      14.440500        7.817645
$spin-orbit operator
$      p-f         
  6
    2        .934200        4.112820
    2       1.167100        2.272542
    2       1.571600      -19.039464
    2       1.999300       19.800536
    1        .672600       -1.789152
    0       8.515100         .282828
$      d-f         
  6
    2       1.239200       -3.414350
    2       1.677500        2.014453
    2       2.418800        -.353428
    2       3.309400       -4.886706
    1       1.007800        2.307391
    0      14.440500        -.036553
$   f        
  4
    2       1.490800        -.010450
    2       3.967000         .047413
    2      15.617600        -.132511
    1      46.377600         .223651
$*********************************************************************
$ Antimony atom
$ Sb, 36 el. core, 15 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 51
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       1.645000       -2.231136
    2       4.410200      -13.318944
    2      17.294800      -63.369213
    1      51.863500      -22.877708
$      s-f         
  6
    2       1.322700      -91.234737
    2       1.766000      234.768540
    2       2.471900     -302.154977
    2       3.243900      153.183506
    1        .971000       25.748160
    0      11.298500        6.542348
$      p-f         
  6
    2        .757000       29.665542
    2        .877600      -90.756204
    2       1.127100      147.411832
    2       1.426600      -87.661033
    1       1.983700       10.963180
    0       1.523100        6.600848
$      d-f         
  6
    2       1.684900      -27.322866
    2       2.051100       70.007182
    2       2.845600     -102.091903
    2       3.948300       90.429729
    1       6.624000         .348690
    0      14.896300        8.325994
$spin-orbit operator
$      p-f         
  6
    2        .757000        4.533274
    2        .877600      -15.157904
    2       1.127100       28.609038
    2       1.426600      -21.006514
    1       1.983700         .012648
    0       1.523100        -.125254
$      d-f         
  6
    2       1.684900       -1.499169
    2       2.051100        4.039459
    2       2.845600       -5.784274
    2       3.948300        4.803163
    1       6.624000        -.703425
    0      14.896300         .056984
$   f        
  4
    2       1.645000        -.028458
    2       4.410200         .090247
    2      17.294800        -.165953
    1      51.863500         .254867
$*********************************************************************
$ Tellurium atom
$ Te, 36 el. core, 16 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 52
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       1.814400       -2.383587
    2       4.869800      -14.219881
    2      18.947200      -67.924370
    1      57.309800      -23.132253
$      s-f         
  6
    2       1.334400     -117.504392
    2       1.621700      161.632454
    2       2.214800     -120.282219
    2       3.174300       25.304021
    1       1.075000       49.016897
    0      16.057400        5.210987
$      p-f         
  6
    2        .863800       33.987097
    2       1.001200     -106.351768
    2       1.281600      178.778403
    2       1.623000     -110.424645
    1       2.407300       29.882927
    0      12.568500        5.447520
$      d-f         
  6
    2       1.868600      -25.485746
    2       2.258300       65.049018
    2       3.080000      -95.474191
    2       4.199100       84.646572
    1       7.174800        2.667519
    0      15.524600        8.151574
$spin-orbit operator
$      p-f         
  6
    2        .863800       -9.060800
    2       1.001200       24.459152
    2       1.281600      -26.724970
    2       1.623000       11.760436
    1       2.407300         .903920
    0      12.568500        -.040640
$      d-f         
  6
    2       1.868600       -5.627308
    2       2.258300       14.539421
    2       3.080000      -17.969257
    2       4.199100       11.650784
    1       7.174800       -1.068427
    0      15.524600         .091631
$   f        
  4
    2       1.814400        -.046907
    2       4.869800         .144627
    2      18.947200        -.273451
    1      57.309800         .302963
$*********************************************************************
$ Iodine atom
$ I, 36 el. core, 17 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 53
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       2.006600       -2.606787
    2       5.412000      -15.301540
    2      20.887700      -73.321856
    1      63.821100      -23.430616
 $     s-f         
  6
    2       1.530100     -144.298021
    2       1.856600      252.498230
    2       2.584300     -200.156410
    2       3.754200       85.981315
    1       1.138700       32.242393
    0      12.470100        6.451682
 $     p-f         
  6
    2        .911100       32.437342
    2       1.065800     -101.576028
    2       1.389900      169.258592
    2       1.795800     -105.276532
    1       2.547900       12.120604
    0       1.172500        6.457335
 $     d-f         
  6
    2        .865300        3.417302
    2        .899600       -3.978940
    2       4.587200      -37.310428
    2       5.528200       77.449968
    1      22.208000       18.015099
    0      19.140100        6.869093
$spin-orbit operator
$      p-f         
  6
    2        .911100       -8.943754
    2       1.065800       23.698540
    2       1.389900      -24.499522
    2       1.795800        9.482398
    1       2.547900        1.858838
    0       1.172500        -.172766
$      d-f         
  6
    2        .865300        -.236477
    2        .899600         .215437
    2       4.587200         .734985
    2       5.528200        -.401384
    1      22.208000        -.567771
    0      19.140100         .039591
$   f        
  4
    2       2.006600        -.038072
    2       5.412000         .130806
    2      20.887700        -.245891
    1      63.821100         .331683
$*********************************************************************
$ Xenon atom
$ Xe, 36 el. core, 18 valence el., spin-orbit
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 54
ECP 36 4 3
$Potential                                                                       
$    n         Exp.          Coef.
$   f        
  4
    2       2.247000       -2.989071
    2       6.127600      -16.861905
    2      23.480800      -80.859561
    1      72.735200      -23.830451
 $     s-f         
  6
    2       1.242700       36.939464
    2       1.453100     -117.990514
    2       1.927600      217.581474
    2       2.568400     -132.931280
    1       3.608900       13.869188
    0       2.817400        7.209685
 $    p-f         
  6
    2       1.029500       38.265828
    2       1.209100     -120.968463
    2       1.596800      217.598639
    2       2.108700     -144.189398
    1       3.156900       33.805919
    0      17.371700        5.235323
 $     d-f         
  6
    2       2.252800      -17.567452
    2       2.731400       46.213304
    2       3.762400      -80.851016
    2       5.320900       97.024095
    1       8.736600        -.881476
    0      18.915000        8.338442
$spin-orbit operator
$      p-f         
  6
    2       1.029500        4.075326
    2       1.209100      -14.911972
    2       1.596800       33.758310
    2       2.108700      -29.326024
    1       3.156900         .092674
    0      17.371700        -.162540
$      d-f         
  6
    2       2.252800       -2.049674
    2       2.731400        5.373608
    2       3.762400       -7.240195
    2       5.320900        6.244944
    1       8.736600        -.974510
    0      18.915000         .072444
$   f        
  4
    2       2.247000        -.028867
    2       6.127600         .116899
    2      23.480800        -.206791
    1      72.735200         .371161
