$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$ ECPCE68                                                            *
$ La,Hf,Ta,W,Re,Os,Ir,Pt,Au,Hg,Tl,Pb,Bi,Po,At,Rn                     *
$*********************************************************************
$ Lanthanum atom
$ La, 68 el. core, 3 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 71
ECP 68 4 3
$Potential
$    n         Exp.          Coef.
$      f
  6
    2        .204200        -.222674
    2        .535100       -2.144054
    2       1.430800       -8.956302
    2       4.211900      -31.270423
    2      13.201600      -80.725898
    1      39.324200      -34.548192     
$         s-f            
  8
    2        .492400      -57.202868
    2        .566800      190.335109
    2        .732500     -265.088962
    2       1.017800      250.972803
    2       1.460500     -178.219745
    2       2.050000      103.273143
    1       6.220800       34.957991
    0      17.265700        6.509714     
$         p-f         
  8
    2        .379900      -28.082558
    2        .426600      111.271403
    2        .532800     -172.921430
    2        .715900      176.782367
    2        .996000     -131.832550
    2       1.349400       73.783043
    1       4.176300       29.544180
    0      11.681000        6.006917    
$         d-f         
  8
    2        .113100        -.032366
    2        .592700      -24.128754
    2        .682300       72.466340
    2        .869900     -125.808129
    2       1.173100      177.715609
    2       1.517800     -112.061135
    1       2.466500       34.286933
    0      12.289200        7.132683
$spin-orbit operator
$         p-f         
  8
    2        .379900       -4.129562
    2        .426600       19.402160
    2        .532800      -35.503696
    2        .715900       34.861644
    2        .996000      -22.520150
    2       1.349400        6.298792
    1       4.176300       -1.529194
    0      11.681000         .028174
$         d-f         
  8
    2        .113100        -.003410
    2        .592700         .481217
    2        .682300       -1.014524
    2        .869900         .405964
    2       1.173100        1.624095
    2       1.517800       -1.863425
    1       2.466500         .105629
    0      12.289200        -.023423
$     f           
  6
    2        .204200        -.003231
    2        .535100         .010545
    2       1.430800        -.026935
    2       4.211900         .076611
    2      13.201600        -.128485
    1      39.324200         .202385
$*********************************************************************
$ Hafnium atom
$ Hf, 68 el. core, 4 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 72
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2        .561100        -.631360
    2       1.355700       -7.105475
    2       3.525600      -24.147146
    2       9.665500      -85.580061
    2      31.158100     -185.188068
    1      91.571100      -47.484359    
$         s-g            
  8
    2        .627100       12.230643
    2        .700300      -59.603244
    2        .878500      156.655197
    2       1.203900     -204.998655
    2       1.728600      187.900309
    2       2.402700      -82.801739
    1       4.020400       40.810141
    0      12.752300        6.656349
$         p-g            
  8
    2        .426500       37.694380
    2        .475300     -116.207065
    2        .579700      196.354229
    2        .742700     -211.904039
    2        .916200      113.471409
    2       3.805100       47.261531
    1       8.300800       45.126886
    0      23.664100        5.778818
$         d-g            
  8
    2        .257500        -.244240
    2        .567400       11.362399
    2        .675300      -36.058373
    2        .888000       65.088008
    2       1.210800      -97.138002
    2       1.564300       75.798689
    1       6.028300       19.088708
    0       5.422900        8.357750
$         f-g            
  8
    2        .609500       -6.326029
    2        .683800       12.383468
    2       1.142700      -67.872564
    2       1.237400       70.923479
    2       4.849100       36.171590
    2      12.748000       96.396851
    1      33.747100       28.853152
    0      33.603000        1.039634
$spin-orbit operator
$         p-g            
  8
    2        .426500       -3.204554
    2        .475300        4.116076
    2        .579700        9.221156
    2        .742700      -19.487764
    2        .916200        8.019388
    2       3.805100       -6.193184
    1       8.300800       -1.686444
    0      23.664100        -.206594
$         d-g            
  8
    2        .257500        -.018793
    2        .567400        -.821900
    2        .675300        3.081595
    2        .888000       -5.888881
    2       1.210800        7.042202
    2       1.564300       -3.330866
    1       6.028300        -.627557
    0       5.422900         .073194
$         f-g            
  8
    2        .609500        -.271392
    2        .683800         .467977
    2       1.142700       -1.331929
    2       1.237400        1.145664
    2       4.849100        -.095694
    2      12.748000         .092278
    1      33.747100        -.048565
    0      33.603000         .002447
$      f           
  6
    2        .561100        -.009506
    2       1.355700         .008483
    2       3.525600        -.036263
    2       9.665500         .109837
    2      31.158100         .039594
    1      91.571100         .540213     
$*********************************************************************
$ Tantalum atom
$ Ta, 68 el. core, 5 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 73
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$         g        
  6
    2        .626900        -.712556
    2       1.508600       -7.586467
    2       3.947300      -25.986029
    2      10.695800      -91.304859
    2      35.086800     -202.253798
    1     103.438700      -48.066311
$         s-g            
  8
    2        .682400       12.134854
    2        .765800      -59.389680
    2        .974000      160.961410
    2       1.358000     -207.031434
    2       2.002100      187.823647
    2       2.900800      -85.492490
    1       4.684200       45.549726
    0      16.760900        6.453742
$         p-g            
  8
    2        .461600       38.242988
    2        .517900     -117.849318
    2        .640800      203.919778
    2        .837000     -223.777761
    2       1.052400      121.214563
    2       4.618800       57.049973
    1       9.978600       46.132263
    0      28.192300        5.676953
$        d-g            
  8
    2        .219500        -.117143
    2       1.036100      -28.523295
    2       1.218700       74.394122
    2       1.627700     -114.172463
    2       2.292900      155.097442
    2       3.117700      -83.561566
    1       5.815100       47.673104
    0      23.040900        7.064989
$         f-g            
  8
    2        .479200       22.671558
    2        .530900      -63.553987
    2        .633000       73.783481
    2        .782300      -36.864551
    2       1.465300       16.237644
    2       4.937500       38.820685
    1      10.753100       28.878838
    0      28.316700        1.538009
$spin-orbit operator
$         p-g            
  8
    2        .461600         .259472
    2        .517900       -6.071252
    2        .640800       25.008992
    2        .837000      -35.427718
    2       1.052400       13.864646
    2       4.618800       -6.186594
    1       9.978600        -.641450
    0      28.192300        -.176260
$         d-g            
  8
    2        .219500        -.012103
    2       1.036100        1.373140
    2       1.218700       -2.896390
    2       1.627700        1.648907
    2       2.292900        3.096472
    2       3.117700       -4.155515
    1       5.815100         .199694
    0      23.040900        -.033178
$         f-g            
  8
    2        .479200        -.737747
    2        .530900        2.010921
    2        .633000       -2.196865
    2        .782300         .970578
    2       1.465300        -.097275
    2       4.937500         .154495
    1      10.753100        -.010723
    0      28.316700         .003253
$         g        
  6
    2        .626900        -.009582
    2       1.508600         .010849
    2       3.947300        -.107199
    2      10.695800         .192644
    2      35.086800         .188181
    1     103.438700         .627301
$*********************************************************************
$ Tungsten atom
$ W, 68 el. core, 6 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 74
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2        .683700        -.750380
    2       1.652800       -8.056513
    2       4.380200      -27.777786
    2      11.738200      -96.638144
    2      39.069000     -219.250213
    1     115.773700      -48.639836
$         s-g            
  8
    2        .109200        -.005597
    2        .872100      -57.148006
    2       1.016700      168.477322
    2       1.352600     -202.826114
    2       1.818500      127.622498
    2       2.722300     -116.136657
    1       1.868900       68.527226
    0      19.640100        4.927664
$         p-g            
  8
    2        .497100       38.402692
    2        .554100     -116.084894
    2        .680300      199.117145
    2        .879000     -217.430788
    2       1.095700      119.613460
    2       4.521000       54.779850
    1       9.709900       47.164291
    0      27.315400        5.729159
$         d-g            
  8
    2        .814100      -10.730679
    2        .222200        -.095880
    2        .884800       13.171008
    2       2.142900      -74.291132
    2       2.701500      194.932841
    2       3.511300     -128.381914
    1       5.694700       22.449178
    0       4.355000        8.121222
$         f-g            
  8
    2        .449500       42.526158
    2        .506500     -130.231175
    2        .625800      176.635130
    2        .856000     -173.755314
    2       1.068100      103.756181
    2       4.848700       59.370614
    1      11.446800       47.211561
    0      37.238800        4.744698
$spin-orbit operator
$         p-g            
  8
    2        .497100       -6.003620
    2        .554100       10.304862
    2        .680300        4.980872
    2        .879000      -19.092350
    2       1.095700        8.005080
    2       4.521000       -6.972098
    1       9.709900       -1.442840
    0      27.315400        -.198372
$         d-g            
  8
    2        .814100         .738110
    2        .222200        -.014301
    2        .884800        -.859943
    2       2.142900       -2.074782
    2       2.701500        9.680891
    2       3.511300       -9.610282
    1       5.694700         .642316
    0       4.355000        -.069750
$         f-g            
  8
    2        .449500        -.387577
    2        .506500        1.105947
    2        .625800       -1.352557
    2        .856000        1.134107
    2       1.068100        -.570635
    2       4.848700         .042680
    1      11.446800        -.000305
    0      37.238800         .000825
$      g           
  6
    2        .683700        -.010917
    2       1.652800         .016147
    2       4.380200        -.071844
    2      11.738200         .192997
    2      39.069000         .071767
    1     115.773700         .715948
$*********************************************************************
$ Rhenium atom
$ Re, 68 el. core, 7 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 75
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$         g        
  6
    2        .744600        -.809024
    2       1.802000       -8.501442
    2       4.823900      -29.580822
    2      12.784400     -101.492371
    2      42.995400     -235.578426
    1     128.289300      -49.221653
$         s-g            
  8
    2        .761800       12.201304
    2        .851300      -58.661792
    2       1.069200      154.635800
    2       1.464800     -191.600741
    2       2.103800      181.256758
    2       2.931200      -75.588248
    1       4.980600       44.001100
    0      14.679800        6.719489
$         p-g            
  8
    2        .535700       38.365738
    2        .602700     -120.067384
    2        .748700      213.545375
    2        .984600     -236.234452
    2       1.248100      130.948289
    2       5.425700       66.509530
    1      11.567000       48.348118
    0      31.936500        5.649830
$         d-g            
  8
    2        .260100        -.136305
    2       1.422900       76.105383
    2       1.183200      -25.865706
    2       1.911300     -131.805305
    2       2.738100      203.931905
    2       3.772200     -130.431261
    1       6.408800       53.739619
    0      28.947100        6.906219
$         f-g            
  8
    2        .455400       42.603733
    2        .516100     -132.345780
    2        .647600      197.703945
    2        .857600     -187.960634
    2       1.096500       99.533693
    2       4.661500       50.981295
    1      10.156600       43.489905
    0      28.486200        4.849675
$spin-orbit operator
$         p-g            
  8
    2        .535700       -1.817544
    2        .602700       -1.234588
    2        .748700       22.861392
    2        .984600      -37.248554
    2       1.248100       14.407538
    2       5.425700       -8.391956
    1      11.567000        -.928692
    0      31.936500        -.202488
$         d-g            
  8
    2        .260100        -.018356
    2       1.422900       -5.528375
    2       1.183200        2.269919
    2       1.911300        5.049774
    2       2.738100        1.252613
    2       3.772200       -4.475003
    1       6.408800         .241857
    0      28.947100        -.040162
$         f-g            
  8
    2        .455400         .226161
    2        .516100        -.787029
    2        .647600        1.238513
    2        .857600       -1.091884
    2       1.096500         .464603
    2       4.661500        -.042651
    1      10.156600         .010840
    0      28.486200        -.002188
$         g        
  6
    2        .744600        -.012269
    2       1.802000         .022242
    2       4.823900        -.028280
    2      12.784400         .168690
    2      42.995400        -.007824
    1     128.289300         .803937
$*********************************************************************
$ Osmium atom
$ Os, 68 el. core, 8 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 76
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2        .807800        -.876579
    2       1.953800       -8.941045
    2       5.285300      -31.520309
    2      13.878000     -106.301917
    2      47.062900     -252.037860
    1     141.497300      -49.823087
$         s-g            
  8
    2        .802000       26.274256
    2        .907200      -96.176119
    2       1.157800      211.952984
    2       1.616300     -253.411645
    2       2.365200      228.250831
    2       3.387800     -102.191633
    1       5.567800       48.779173
    0      19.545600        6.438573
$         p-g            
  8
    2        .569700       37.432063
    2        .638600     -116.317689
    2        .789200      207.202487
    2       1.029700     -229.604584
    2       1.295900      129.959588
    2       5.372500       63.953626
    1      11.334500       49.047302
    0      31.141300        5.689023
$         d-g            
  8
    2        .316500        -.252712
    2        .786500       13.532974
    2        .929900      -43.620311
    2       1.215000       79.108329
    2       1.659800     -120.068513
    2       2.168000      100.242541
    1       8.581600       51.208414
    0      30.715700        7.078043
$         f-g            
  8
    2        .424800       42.012730
    2        .481900     -130.600574
    2        .605500      195.075287
    2        .802100     -184.759510
    2       1.027800       97.175326
    2       4.366800       47.794316
    1       9.822600       44.163058
    0      27.932500        4.861011
$spin-orbit operator
$         p-g            
  8
    2        .569700       -6.437532
    2        .638600       10.798868
    2        .789200        7.516210
    2       1.029700      -24.156564
    2       1.295900        9.746614
    2       5.372500       -8.337018
    1      11.334500       -1.287700
    0      31.141300        -.208758
$         d-g            
  8
    2        .316500        -.035338
    2        .786500         .032674
    2        .929900        1.627816
    2       1.215000       -5.595765
    2       1.659800        8.400326
    2       2.168000       -4.409596
    1       8.581600        -.317916
    0      30.715700         .032112
$         f-g            
  8
    2        .424800        -.661285
    2        .481900        1.956693
    2        .605500       -2.718780
    2        .802100        2.378290
    2       1.027800       -1.113288
    2       4.366800         .043298
    1       9.822600         .012683
    0      27.932500         .000210
$      g           
  6
    2        .807800        -.012474
    2       1.953800         .022552
    2       5.285300        -.115306
    2      13.878000         .303137
    2      47.062900         .096221
    1     141.497300         .908416
$*********************************************************************
$ Iridium atom
$ Ir, 68 el. core, 9 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 77
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$         g        
  6
    2        .867200        -.918687
    2       2.101600       -9.341831
    2       5.732000      -33.087321
    2      14.906100     -110.599310
    2      50.870400     -266.874155
    1     154.076300      -50.383438
$         s-g            
  8
    2        .841300       27.137774
    2        .950200      -97.933943
    2       1.207100      212.038792
    2       1.670200     -248.607844
    2       2.417900      227.195431
    2       3.391600      -97.368588
    1       5.762500       47.978085
    0      18.472500        6.553921
$         p-g            
  8
    2        .656300       57.662289
    2        .725200     -154.396931
    2        .903400      247.695863
    2       1.231100     -276.296471
    2       1.788300      270.382464
    2       2.381200     -159.552686
    1       3.082000       41.999567
    0      11.048600        5.935458
$         d-g            
  8
    2        .285400        -.120884
    2        .832900       -1.391112
    2       1.774600       43.520832
    2       2.238300     -142.591128
    2       3.049400      247.567713
    2       4.092200     -151.512447
    1       6.558000       24.362541
    0       5.538700        8.044630
$         f-g            
  8
    2        .308300      -19.304009
    2        .346300       60.738648
    2        .429300     -107.938209
    2        .573500      136.659596
    2        .795000     -107.831634
    2       1.150900       58.891726
    1       4.225800       29.420352
    0       9.362600        5.931432
$spin-orbit operator
$         p-g            
  8
    2        .656300        6.821368
    2        .725200      -24.438932
    2        .903400       59.522226
    2       1.231100      -85.925406
    2       1.788300       69.759896
    2       2.381200      -33.111306
    1       3.082000        -.878936
    0      11.048600        -.241688
$         d-g            
  8
    2        .285400        -.021110
    2        .832900         .130434
    2       1.774600        -.849885
    2       2.238300       -1.549617
    2       3.049400       11.135395
    2       4.092200      -11.591183
    1       6.558000         .708383
    0       5.538700        -.072192
$         f-g            
  8
    2        .308300         .080327
    2        .346300        -.207601
    2        .429300         .231815
    2        .573500        -.174087
    2        .795000         .135669
    2       1.150900        -.094623
    1       4.225800         .003293
    0       9.362600         .000765
$         g        
  6
    2        .867200        -.013746
    2       2.101600         .028941
    2       5.732000        -.065647
    2      14.906100         .259095
    2      50.870400         .060004
    1     154.076300         .996389
$*********************************************************************
$ Platinum atom
$ Pt, 68 el. core, 10 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 78
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2        .912100        -.974928
    2       2.165400       -9.496993
    2       6.065800      -31.972325
    2      15.520800     -115.023093
    2      52.946400     -275.538914
    1     160.880900      -50.802780
$         s-g            
  8
    2       1.143300      -80.754021
    2       1.324800      255.402430
    2       1.724000     -314.580845
    2       2.410600      297.734940
    2       3.499700     -197.639338
    2       5.130000      146.508398
    1      12.909200       48.660684
    0      34.226600        4.064912
$         p-g            
  8
    2        .851600      -17.786717
    2        .975100       96.914003
    2       1.266200     -146.014526
    2       1.805100      147.231947
    2       2.705000      -89.586180
    2       4.244800       85.018012
    1      10.743900       50.108768
    0      31.214600        5.642663
$         d-g            
  8
    2        .282000        -.118513
    2       1.267200      -17.328950
    2       1.569200       49.303392
    2       2.301900     -115.680268
    2       3.293600      226.664570
    2       4.609100     -154.830769
    1       7.736500       59.639100
    0      36.100000        6.811202
$         f-g            
  8
    2        .321300      -28.150095
    2        .333800       31.239727
    2       1.391200       47.821970
    2       1.497800      -29.597185
    2       3.370400       68.588371
    2       3.546800      -27.416642
    1       8.283500       44.576737
    0      23.964400        4.994919
$spin-orbit operator
$         p-g            
  8
    2        .851600       22.773146
    2        .975100      -28.467596
    2       1.266200      -11.728602
    2       1.805100       42.111252
    2       2.705000      -39.571072
    2       4.244800       19.228458
    1      10.743900       -1.083290
    0      31.214600         .153658
$         d-g            
  8
    2        .282000        -.012992
    2       1.267200         .606279
    2       1.569200       -1.314369
    2       2.301900        -.021552
    2       3.293600        7.154425
    2       4.609100       -9.172213
    1       7.736500         .461982
    0      36.100000        -.065185
$         f-g            
  8
    2        .321300         .055508
    2        .333800        -.057110
    2       1.391200        -.937210
    2       1.497800         .861566
    2       3.370400       -5.975130
    2       3.546800        5.693061
    1       8.283500         .025489
    0      23.964400        -.000090
$      g           
  6
    2        .912100        -.016713
    2       2.165400         .031252
    2       6.065800        -.114316
    2      15.520800         .257176
    2      52.946400         .324503
    1     160.880900        1.041316
$*********************************************************************
$ Gold atom
$ Au, 68 el. core, 11 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 79
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2        .965700        -.986902
    2       2.290400       -9.686306
    2       6.438400      -32.572463
    2      16.364600     -118.530878
    2      55.989300     -286.254646
    1     171.101400      -51.274231
$         s-g            
  8
    2       1.224800      -84.969303
    2       1.433600      280.177643
    2       1.892900     -354.643566
    2       2.696300      334.331909
    2       3.989900     -219.392605
    2       6.005500      170.858744
    1      14.582600       56.338731
    0      39.310700        6.409300
$         p-g            
  8
    2        .906400       -6.911901
    2       1.031100       72.125463
    2       1.328700     -114.975335
    2       1.903700      123.616682
    2       2.836400      -71.135709
    2       4.588400       79.016603
    1      11.198100       51.287008
    0      32.295700        5.651983
$         d-g            
  8
    2        .293100        -.113657
    2       1.030100       -2.404025
    2       2.018600       62.581116
    2       3.439200      255.447176
    2       5.157900     -161.806480
    2       2.514900     -175.770760
    1       8.062400       63.620792
    0      41.028500        6.750320
$         f-g            
  8
    2        .433500      -47.607799
    2        .509700      176.318029
    2        .579600     -168.676897
    2        .771100       54.492446
    2       2.593500       37.715393
    2       8.390700      -24.139676
    1       6.929400       49.168024
    0      22.258900        4.759586
$spin-orbit operator
$         p-g            
  8
    2        .906400       31.558094
    2       1.031100      -46.293560
    2       1.328700        7.025790
    2       1.903700       24.049798
    2       2.836400      -25.827446
    2       4.588400       12.567792
    1      11.198100        -.810922
    0      32.295700         .109624
$         d-g            
  8
    2        .293100        -.016533
    2       1.030100         .328001
    2       2.018600      -11.521077
    2       3.439200      -32.439090
    2       5.157900       18.860086
    2       2.514900       29.831210
    1       8.062400        -.309918
    0      41.028500         .072853
$         f-g            
  8
    2        .433500        -.596694
    2        .509700        2.093053
    2        .579600       -1.875835
    2        .771100         .458359
    2       2.593500        -.189342
    2       8.390700        -.861705
    1       6.929400         .086472
    0      22.258900        -.003493
$      g           
  6
    2        .965700        -.018226
    2       2.290400         .044990
    2       6.438400        -.068373
    2      16.364600         .225816
    2      55.989300         .185953
    1     171.101400        1.121149
$*********************************************************************
$ Mercury atom
$ Hg, 68 el. core, 12 valence el., spin-orbit
$ Ross and Christiansen, JCP 93, 6654 (1990)
$*********************************************************************
A 80
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2       1.066100       -1.125593
    2       2.555200      -10.712210
    2       7.327700      -37.997999
    2      18.271600     -124.305494
    2      62.892900     -312.364613
    1     194.987600      -52.263057
$         s-g            
  8
    2       1.310600      -84.917057
    2       1.525600      276.988667
    2       1.999100     -338.399086
    2       2.824300      317.144943
    2       4.172100     -203.942865
    2       6.288500      165.251316
    1      15.612800       50.152796
    0      40.719900        3.979591
$         p-g            
  8
    2        .973500      -14.863204
    2       1.120800       94.565658
    2       1.470000     -141.043982
    2       2.119000      143.836845
    2       3.243800      -80.448018
    2       5.328000       94.060874
    1      12.845600       52.950096
    0      36.974300        5.603944
$         d-g            
  8
    2       1.489100       64.182440
    2        .359400        -.143450
    2       1.384500      -47.454059
    2       2.669000     -103.458332
    2       3.745400      235.987038
    2       5.633500     -176.666534
    1       8.813500       67.144999
    0      47.669300        6.698038
$         f-g            
  8
    2        .723800      -41.446112
    2        .825000      136.941601
    2       1.048000     -188.020153
    2       1.427400      196.114660
    2       2.014300     -135.424807
    2       2.813600       97.133018
    1       8.314500       44.362390
    0      22.519500        5.045634
$spin-orbit operator
$         p-g            
  8
    2        .973500       25.576534
    2       1.120800      -31.804898
    2       1.470000      -11.132996
    2       2.119000       41.205350
    2       3.243800      -38.163936
    2       5.328000       19.300678
    1      12.845600       -1.312502
    0      36.974300         .155862
$         d-g            
  8
    2       1.489100       -4.054616
    2        .359400        -.024446
    2       1.384500        3.266115
    2       2.669000         .547229
    2       3.745400        6.559014
    2       5.633500      -10.370148
    1       8.813500         .611204
    0      47.669300        -.078183
$         f-g            
  8
    2        .723800        5.921501
    2        .825000      -10.902595
    2       1.048000        6.659459
    2       1.427400        -.398304
    2       2.014300       -2.407900
    2       2.813600        1.607053
    1       8.314500         .089058
    0      22.519500        -.006345
$      g           
  6
    2       1.066100        -.019454
    2       2.555200         .047077
    2       7.327700        -.057882
    2      18.271600         .258777
    2      62.892900         .285969
    1     194.987600        1.293364
$*********************************************************************
$ Thallium atom
$ Tl, 68 el. core, 13 valence el., spin-orbit
$ Wildman and Christiansen, JCP 107, 9975 (1997)
$*********************************************************************
A 81
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2       1.188500       -1.305280
    2       2.826400      -11.615490
    2       8.247200      -44.717980
    2      20.529000     -130.115524
    2      70.763200     -340.590473
    1     223.323400      -53.444254
$         s-g         
  7
    2        .985000       44.021089
    2       1.135800     -142.719578
    2       1.489600      282.763667
    2       2.107900     -306.241150
    2       2.925500      186.004451
    1      10.644300       55.996380
    0      34.876400        6.371788
$         p-g            
  8
    2        .290400         .115591
    2        .920100      -54.439704
    2       1.084500      175.902403
    2       1.430100     -220.556211
    2       1.989300      204.958085
    2       2.780900     -130.962041
    1       2.842100       45.825781
    0      11.049000        5.996205
$         d-g            
  8
    2        .432300        -.218699
    2       1.632300      -29.019674
    2       1.959400       86.319069
    2       2.657300     -154.261861
    2       3.919600      263.326014
    2       5.707100     -188.003359
    1       9.006300       66.478281
    0      45.861500        6.709649
$         f-g            
  8
    2        .597400       19.797970
    2        .679300      -62.511195
    2        .860600      116.891258
    2       1.185700     -202.106483
    2       1.719400      274.155344
    2       2.387800     -150.327522
    1       3.857300       49.980030
    0      13.488900        9.284637
$spin-orbit operator
$         p-g            
  8
    2        .290400         .011998
    2        .920100      -15.887332
    2       1.084500       62.388680
    2       1.430100      -97.567302
    2       1.989300       77.922050
    2       2.780900      -34.032450
    1       2.842100        -.904480
    0      11.049000        -.295330
$         d-g            
  8
    2        .432300        -.037005
    2       1.632300        4.031599
    2       1.959400       -9.421223
    2       2.657300        8.472723
    2       3.919600        1.512927
    2       5.707100       -7.754193
    1       9.006300         .432276
    0      45.861500        -.060172
$         f-g            
  8
    2        .597400        -.154263
    2        .679300         .474888
    2        .860600        -.825680
    2       1.185700        1.122090
    2       1.719400        -.989723
    2       2.387800         .336488
    1       3.857300         .007931
    0      13.488900         .000568
$      g           
  6
    2       1.188500        -.020081
    2       2.826400         .052528
    2       8.247200        -.104978
    2      20.529000         .432037
    2      70.763200         .241122
    1     223.323400        1.513462
$*********************************************************************
$ Lead atom
$ Pb, 68 el. core, 14 valence el., spin-orbit
$ Wildman and Christiansen, JCP 107, 9975 (1997)
$*********************************************************************
A 82
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2       1.305800       -1.453792
    2       3.128400      -12.677284
    2       9.255100      -51.687993
    2      23.063700     -136.880727
    2      79.272900     -369.916103
    1     253.830600      -54.614387
$         s-g            
  8
    2       1.062500       47.011568
    2       1.220000     -150.280353
    2       1.592200      296.721912
    2       2.253500     -329.094800
    2       3.333000      294.298285
    2       4.800900     -129.212176
    1       7.994100       57.000569
    0      28.337500        6.334060
$         p-g            
  8
    2        .584400        5.428823
    2        .824800      -55.369498
    2       1.059400      155.102327
    2       1.457400     -181.358791
    2       1.951000      120.056170
    2       7.818200       90.856500
    1      16.135400       55.171827
    0      42.822500        5.609916
$         d-g            
  8
    2        .498400        -.188154
    2       1.641100      -29.672622
    2       1.989800       87.248523
    2       2.725000     -153.771260
    2       4.033000      256.456261
    2       5.825200     -168.929495
    1       9.520300       65.025905
    0      44.422300        6.776294
$         f-g            
  8
    2        .964600      -32.728402
    2       1.112200      105.855655
    2       1.456800     -218.511396
    2       2.103100      337.182341
    2       3.186900     -287.691706
    2       4.836100      219.622053
    1      15.069200       76.835774
    0      50.966900        8.684802
$spin-orbit operator
$         p-g            
  8
    2        .584400         .482430
    2        .824800       -9.034902
    2       1.059400       36.953166
    2       1.457400      -51.084258
    2       1.951000       18.108694
    2       7.818200      -14.551626
    1      16.135400       -1.062418
    0      42.822500        -.274856
$         d-g            
  8
    2        .498400        -.116338
    2       1.641100        9.504609
    2       1.989800      -22.196965
    2       2.725000       22.395242
    2       4.033000       -9.767153
    2       5.825200       -1.674592
    1       9.520300         .153971
    0      44.422300        -.033085
$         f-g            
  8
    2        .964600         .316701
    2       1.112200        -.971787
    2       1.456800        1.579485
    2       2.103100       -1.652606
    2       3.186900         .989971
    2       4.836100        -.314418
    1      15.069200         .022623
    0      50.966900        -.001747
$      g           
  6
    2       1.305800        -.021785
    2       3.128400         .060741
    2       9.255100        -.136063
    2      23.063700         .571327
    2      79.272900         .259553
    1     253.830600        1.745507
$*********************************************************************
$ Bismuth atom
$ Bi, 68 el. core, 15 valence el., spin-orbit
$ Wildman and Christiansen, JCP 107, 9975 (1997)
$*********************************************************************
A 83
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2       1.415000       -1.505220
    2       3.421300      -13.811698
    2      10.219200      -57.690952
    2      25.452200     -142.485267
    2      86.939200     -394.299186
    1     281.814100      -55.704145
$      s-g            
  7
    2       1.094000       46.636207
    2       1.253000     -147.063475
    2       1.620400      276.432208
    2       2.244900     -281.926073
    2       3.060000      183.988882
    1      10.482400       57.432750
    0      31.725700        6.508426
$         p-g            
  8
    2        .262400         .062824
    2       1.098200      -57.619415
    2       1.289800      192.325412
    2       1.705700     -238.369414
    2       2.399400      226.721807
    2       3.444800     -134.435965
    1       3.990000       48.760521
    0      13.427300        6.002623
$         d-g            
  8
    2        .485400        -.104244
    2       1.707500      -33.683574
    2       2.087500       97.760105
    2       2.903200     -173.163398
    2       4.411500      306.453421
    2       6.702400     -239.507791
    1      10.270000       74.434367
    0      60.088100        6.586636
$         f-g            
  8
    2        .653300       19.916198
    2        .747400      -62.923115
    2        .958900      119.543531
    2       1.339900     -211.278289
    2       1.989900      293.642523
    2       2.862900     -168.582623
    1       4.530900       57.517268
    0      17.788500        8.986982
$spin-orbit operator
$         p-g            
  8
    2        .262400         .002086
    2       1.098200      -12.226642
    2       1.289800       58.164968
    2       1.705700      -98.556284
    2       2.399400       81.382480
    2       3.444800      -37.105856
    1       3.990000       -1.581076
    0      13.427300        -.422894
$         d-g            
  8
    2        .485400        -.102855
    2       1.707500        4.252432
    2       2.087500       -8.350041
    2       2.903200        4.713406
    2       4.411500        7.977173
    2       6.702400      -14.429512
    1      10.270000         .841996
    0      60.088100        -.096114
$         f-g            
  8
    2        .653300        -.141104
    2        .747400         .435401
    2        .958900        -.770903
    2       1.339900        1.063495
    2       1.989900        -.966263
    2       2.862900         .354802
    1       4.530900         .011867
    0      17.788500         .000494
$      g           
  6
    2       1.415000        -.039453
    2       3.421300         .077924
    2      10.219200        -.088239
    2      25.452200         .535131
    2      86.939200         .579660
    1     281.814100        1.938436
$*********************************************************************
$ Polonium atom
$ Po, 68 el. core, 16 valence el., spin-orbit
$ Ross and Christiansen, JCP 101, 1098 (1994)
$*********************************************************************
A 84
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2       1.513400       -1.457873
    2       3.672200      -14.713606
    2      11.044300      -62.380540
    2      27.633100     -147.987027
    2      94.039300     -416.049633
    1     308.292100      -56.736041
$         s-g            
  8
    2        .832300      -30.030388
    2        .947600       96.168549
    2       1.202800     -181.030523
    2       1.667200      305.079290
    2       2.418500     -303.261549
    2       3.385200      193.489068
    1      11.986900       59.070728
    0      38.505600        6.377507
$         p-g            
  8
    2        .655000      -22.485818
    2        .734600       71.352982
    2        .906900     -130.564653
    2       1.211900      214.889870
    2       1.685000     -221.690785
    2       2.274800      143.386718
    1       8.023300       45.491122
    0      19.252400        6.194662
$         d-g            
  8
    2        .763000       -7.337836
    2        .885600       25.268492
    2       1.147900      -52.303458
    2       1.613600       87.858867
    2       2.384300     -140.938326
    2       3.385600      145.238797
    1      15.323000       28.623874
    0      13.386800        7.734793
$         f-g            
  8
    2        .694400        9.205861
    2        .780900      -28.852999
    2        .968700       52.883068
    2       1.286800      -85.146308
    2       1.777100      124.289395
    2       2.384400     -116.739091
    1       2.826300       38.185481
    0      14.087300        5.008998
$spin-orbit operator
$         p-g            
  8
    2        .655000       19.399264
    2        .734600      -52.204908
    2        .906900       63.857872
    2       1.211900      -36.883100
    2       1.685000        6.216542
    2       2.274800       -7.877690
    1       8.023300       -6.623724
    0      19.252400        -.106816
$         d-g            
  8
    2        .763000        2.403977
    2        .885600       -7.058858
    2       1.147900        9.215832
    2       1.613600       -7.763555
    2       2.384300        5.427679
    2       3.385600       -1.861839
    1      15.323000        3.514193
    0      13.386800        -.250958
$         f-g            
  8
    2        .694400         .472609
    2        .780900       -1.395933
    2        .968700        2.207389
    2       1.286800       -2.810226
    2       1.777100        2.832223
    2       2.384400       -1.395827
    1       2.826300         .024468
    0      14.087300        -.001613
$      g           
  6
    2       1.513400        -.027618
    2       3.672200         .065841
    2      11.044300        -.136360
    2      27.633100         .740869
    2      94.039300         .485262
    1     308.292100        2.157544
$*********************************************************************
$ Astatine atom
$ At, 68 el. core, 17 valence el., spin-orbit
$ Wildman and Christiansen, JCP 107, 9975 (1997)
$*********************************************************************
A 85
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2       1.608900       -1.426751
    2       3.948300      -15.617010
    2      11.940700      -67.952366
    2      30.225900     -154.699368
    2     102.265400     -440.223899
    1     339.275100      -57.924831
$         s-g            
  8
    2        .863200      -28.784761
    2        .986000       91.869817
    2       1.254500     -171.767891
    2       1.738500      288.581302
    2       2.511600     -282.741759
    2       3.509900      193.831532
    1      11.905600       60.533047
    0      36.683500        6.454091
$         p-g            
  8
    2        .815800       19.098213
    2       1.008300      -78.975162
    2       1.365300      189.909183
    2       1.975500     -219.775916
    2       2.977200      209.752267
    2       4.518300     -106.634672
    1       6.326200       50.821807
    0      19.149600        5.912698
$         d-g            
  8
    2       1.428500       19.158437
    2       1.656800      -66.413133
    2       2.176300      123.574461
    2       3.091600     -194.423255
    2       4.704500      315.387202
    2       7.036200     -219.054133
    1      11.048600       72.728372
    0      56.832000        6.666294
$         f-g            
  8
    2        .908900       11.030879
    2        .986900      -21.478944
    2       2.078200     -120.173773
    2       2.868500      193.261399
    2       4.240100     -275.963742
    2       5.989100      151.883497
    1       1.227700       40.771785
    0      19.356000        4.814267
$spin-orbit operator
$         p-g            
  8
    2        .815800        4.534326
    2       1.008300      -22.294718
    2       1.365300       68.484776
    2       1.975500     -103.296050
    2       2.977200       70.227236
    2       4.518300      -34.476760
    1       6.326200       -3.749456
    0      19.149600        -.533608
$         d-g            
  8
    2       1.428500       -5.985128
    2       1.656800       12.594421
    2       2.176300      -10.432244
    2       3.091600        3.014091
    2       4.704500       10.373985
    2       7.036200      -14.705280
    1      11.048600         .750771
    0      56.832000        -.085221
$         f-g            
  8
    2        .908900        -.304369
    2        .986900         .430284
    2       2.078200       -1.294859
    2       2.868500        4.366965
    2       4.240100       -5.894590
    2       5.989100        3.146214
    1       1.227700        -.114263
    0      19.356000         .002414
$      g           
  6
    2       1.608900        -.044992
    2       3.948300         .082272
    2      11.940700        -.050643
    2      30.225900         .620185
    2     102.265400        1.026688
    1     339.275100        2.364578
$*********************************************************************
$ Radon atom
$ Rn, 68 el. core, 18 valence el., spin-orbit
$ Wildman and Christiansen, JCP 107, 9975 (1997)
$*********************************************************************
A 86
ECP 68 5 4
$Potential                                                                       
$    n         Exp.          Coef.
$      g           
  6
    2       1.717400       -1.351709
    2       4.223900      -16.699697
    2      12.885400      -73.188348
    2      32.785500     -160.669768
    2     110.204100     -462.388988
    1     369.334700      -59.055666
$         s-g            
  8
    2       1.351300       46.241353
    2       1.552100     -147.440206
    2       2.023900      299.050068
    2       2.864500     -316.004352
    2       4.224900      300.515751
    2       6.502100     -254.982229
    1       6.352700       89.383592
    0      37.444400        4.091537
$         p-g            
  8
    2        .311500         .080959
    2       1.344800      -63.965944
    2       1.610000      222.773939
    2       2.188800     -267.994816
    2       3.200200      256.144459
    2       4.792100     -136.463101
    1       6.502800       56.797767
    0      21.511700        6.076993
$         d-g            
  8
    2       2.257100      -59.210775
    2       2.692600      159.231156
    2       3.655900     -256.956382
    2       5.524100      451.816760
    2       8.909700     -457.135600
    2      15.210100      478.309184
    1      47.009300       29.445977
    0      39.826000        7.787720
$         f-g            
  8
    2       1.468800       -9.991864
    2       1.682200       34.787113
    2       2.141400      -66.244960
    2       2.970000      119.361596
    2       4.330800     -193.178085
    2       6.378300      241.577263
    1      17.406900       25.281425
    0      16.499300       10.087673
$spin-orbit operator
$         p-g            
  8
    2        .311500        -.001432
    2       1.344800      -14.454136
    2       1.610000       70.408794
    2       2.188800     -116.899358
    2       3.200200       89.364254
    2       4.792100      -43.265636
    1       6.502800       -5.692008
    0      21.511700       -1.133120
$         d-g            
  8
    2       2.257100      -10.556614
    2       2.692600       27.483744
    2       3.655900      -36.678274
    2       5.524100       48.883360
    2       8.909700      -55.981377
    2      15.210100       30.095828
    1      47.009300       -2.824122
    0      39.826000         .115528
$         f-g            
  8
    2       1.468800       -2.039022
    2       1.682200        5.829543
    2       2.141400       -8.189230
    2       2.970000        7.511709
    2       4.330800       -3.566905
    2       6.378300         .097928
    1      17.406900         .222549
    0      16.499300        -.018353
$      g           
  6
    2       1.717400        -.032548
    2       4.223900         .061825
    2      12.885400        -.030416
    2      32.785500         .694047
    2     110.204100        1.244498
    1     369.334700        2.594429
