$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$ ECPCE28                                                            *
$ Ga,Ge,As,Se,Br,Kr,Rb,Sr,Y,Zr,Nb,Mo,Ru,Rh,Pd,Ag,Cd                  *
$*********************************************************************
$ Gallium atom
$ Ga, 28 el. core, 3 valence el., spin-free
$ M.M.Hurley and Ermler, JCP 84, 6840 (1986)
$*********************************************************************
A 31
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .588100        -.319977
    2       1.640700       -4.770944
    2       4.355000      -21.727410
    2      13.116600      -48.097948
    1      40.744000      -18.713619
$      s-f         
  6
    2        .320800        -.042524
    2       2.620200      127.490679
    2       3.141300     -239.205661
    2       3.900500      113.471856
    1       2.488500       25.328977
    0      13.403400        3.349783
$      p-f         
  6
    2       1.336600      -33.185229
    2       1.597800      112.459403
    2       2.098700     -136.701481
    2       2.699400       82.935359
    1       4.328200       11.972970
    0       8.211800        5.430342
$      d-f         
  6
    2        .759200       52.299481
    2        .856200     -124.251961
    2       1.031500      130.492963
    2       1.231900      -60.306935
    1       1.922300       14.735067
    0       5.157600        3.488669
$*********************************************************************
$ Germanium atom
$ Ge, 28 el. core, 4 valence el., spin-free
$ M.M.Hurley and Ermler, JCP 84, 6840 (1986)
$*********************************************************************
A 32
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .767700        -.394331
    2       2.084000       -5.838442
    2       5.430100      -25.135115
    2      16.532900      -54.325540
    1      50.329000      -19.005036
$      s-f         
  6
    2       1.883600      -37.252099
    2       2.335100      118.111483
    2       3.186400     -155.077091
    2       4.271900       84.980302
    1       2.035900       19.088362
    0      12.929200        3.267818
$      p-f         
  6
    2       1.645000      -53.611416
    2       1.941900      175.172210
    2       2.560000     -215.375755
    2       3.387200      139.209299
    1       8.416800       10.595574
    0       9.807100        5.457020
$      d-f         
  6
    2        .899800       64.171476
    2       1.034500     -161.126524
    2       1.299500      186.054430
    2       1.609600      -92.987980
    1       2.245800       10.200619
    0       1.722600        7.640654
$*********************************************************************
$ Arsenic atom
$ As, 28 el. core, 5 valence el., spin-free
$ M.M.Hurley and Ermler, JCP 84, 6840 (1986)
$*********************************************************************
A 33
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2        .958900        -.473017
    2       2.541800       -6.785312
    2       6.513400      -28.133385
    2      20.033100      -60.481985
    1      60.187000      -19.244002
$      s-f         
  6
    2       2.157600      -49.068825
    2       2.609400      175.889361
    2       3.523800     -200.331650
    2       4.820200      150.991764
    1      13.870600       32.852165
    0      35.676500        3.339107
$      p-f         
  6
    2       1.918500      -67.207995
    2       2.267000      220.362870
    2       3.012900     -270.246920
    2       4.043900      173.095280
    1      11.336400       10.388259
    0      11.374600        5.429486
$      d-f         
  6
    2        .837100      -38.583497
    2        .950500      117.567784
    2       1.180100     -167.236407
    2       1.454200      106.399342
    1       4.544400        9.161246
    0       4.157200        7.609508
$*********************************************************************
$ Selenium atom
$ Se, 28 el. core, 6 valence el., spin-free
$ M.M.Hurley and Ermler, JCP 84, 6840 (1986)
$*********************************************************************
A 34
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       1.165000        -.560052
    2       3.019300       -7.654434
    2       7.636300      -30.986436
    2      23.738800      -66.839419
    1      70.747700      -19.464551
$      s-f         
  6
    2       2.530900      -77.680224
    2       3.016300      259.822746
    2       4.052400     -286.509483
    2       5.496100      186.876955
    1      15.214700       14.901224
    0      19.290700        3.385407
$      p-f         
  6
    2       2.152300      -72.917127
    2       2.566600      242.852829
    2       3.465100     -298.234401
    2       4.666500      156.365132
    1       3.892300       14.579875
    0      13.978300        5.288504
$      d-f         
  6
    2       1.058800      -42.698303
    2       1.213900      130.758051
    2       1.541700     -186.894124
    2       1.950300      124.371037
    1       6.030500        9.393292
    0       5.369000        7.530381
$*********************************************************************
$ Bromine atom
$ Br, 28 el. core, 7 valence el., spin-free
$ M.M.Hurley and Ermler, JCP 84, 6840 (1986)
$*********************************************************************
A 35
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       1.401900        -.689622
    2       3.602000       -8.903298
    2       8.967000      -33.985401
    2      28.135200      -74.117600
    1      83.317900      -19.702532
$      s-f         
  6
    2       1.846000       39.554527
    2       2.116800     -127.327067
    2       2.703900      226.224707
    2       3.451400     -137.277730
    1       5.180300       34.878343
    0      23.034500        3.163496
$      p-f         
  6
    2       2.376500      -72.414036
    2       2.820000      241.876011
    2       3.795000     -289.872685
    2       5.206000      193.861761
    1      14.697000       11.547855
    0      14.289200        5.401446
$      d-f         
  6
    2       1.221600      -42.921552
    2       1.406100      132.842701
    2       1.796700     -190.214086
    2       2.299300      130.493379
    1       6.968700        9.658866
    0       6.201300        7.503121
$*********************************************************************
$ Krypton atom
$ Kr, 28 el. core, 8 valence el., spin-free
$ M.M.Hurley and Ermler, JCP 84, 6840 (1986)
$*********************************************************************
A 36
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       1.677500        -.867674
    2       4.245500      -10.168666
    2      10.413300      -37.047831
    2      33.019100      -82.028862
    1      97.540100      -19.952639
$      s-f         
  6
    2       3.008700      -81.186060
    2       3.616700      277.684654
    2       4.939100     -298.012342
    2       6.675800      143.602269
    1       5.248500       17.648469
    0      22.395100        3.336640
$      p-f         
  6
    2       2.646900      -76.909832
    2       3.186500      267.189499
    2       4.399200     -323.519297
    2       6.258700      220.480046
    1      19.347300       11.694519
    0      17.346900        5.331181
$      d-f         
  6
    2       1.522300      -48.586225
    2       1.783600      156.378100
    2       2.350100     -225.409555
    2       3.136800      161.852199
    1       9.785100       10.137445
    0       8.549700        7.399992
$*********************************************************************
$ Rubidium atom
$ Rb, 28 el. core,9 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 37
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       1.964600       -1.044000
    2       5.023500      -12.268547
    2      12.311900      -40.493605
    2      39.439200      -92.107945
    1     116.430700      -20.250831
$         s-f         
  7
    2       2.298100       50.813943
    2       2.662700     -162.047325
    2       3.509300      313.810810
    2       4.969800     -309.754504
    2       6.948400      216.076070
    1      17.703900       20.860631
    0      25.660300        3.361201
$         p-f         
  7
    2       2.021600       45.412322
    2       2.339800     -145.472374
    2       3.078400      283.184195
    2       4.375700     -305.102138
    2       6.158600      207.653963
    1      16.778900       12.159850
    0      16.616800        5.399894
$         d-f         
  7
    2       1.233800       31.682751
    2       1.419400     -100.625294
    2       1.833900      186.521603
    2       2.545500     -239.760732
    2       3.470100      170.190514
    1      10.620700        9.917438
    0       9.286100        7.410629
$*********************************************************************
$ Strontium atom
$ Sr, 28 el. core, 10 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 38
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       2.234000       -1.161875
    2       5.671000      -13.374000
    2      13.881800      -43.236592
    2      44.810600     -100.099034
    1     132.902600      -20.518131
$         s-f         
  7
    2       2.446700       53.589866
    2       2.867800     -172.082179
    2       3.866100      345.585923
    2       5.660700     -351.221705
    2       8.307900      257.342853
    1      23.495200       12.917092
    0      21.033800        6.334494
$         p-f         
  7
    2       2.209500       49.151226
    2       2.584400     -158.825817
    2       3.468400      320.084636
    2       5.064300     -349.107690
    2       7.379600      239.329916
    1      22.227100       11.864199
    0      19.918100        5.338598
$         d-f         
  7
    2       1.407300       32.675723
    2       1.624200     -103.221339
    2       2.117500      193.276499
    2       2.972400     -248.633031
    2       4.118000      183.395661
    1      12.523900       10.146319
    0      10.882700        7.381358
$*********************************************************************
$ Yttrium atom
$ Y, 28 el. core, 11 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 39
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       2.900500       -2.222488
    2       7.946300      -23.576746
    2      21.594000      -59.280443
    2      78.346200     -164.740468
    1     265.063000      -22.874066
$         s-f         
  7
    2       2.685100       55.648513
    2       3.137400     -177.823175
    2       4.206500      354.563122
    2       6.106200     -340.001252
    2       8.793000      239.039502
    1      26.356100       14.659891
    0      26.615600        3.390700
$         p-f         
  7
    2       2.379500       50.285105
    2       2.773600     -160.272821
    2       3.705400      317.676798
    2       5.371000     -336.207487
    2       7.783200      237.316726
    1      22.161000       12.751213
    0      20.473600        5.370082
$         d-f         
  7
    2       1.589700       33.296710
    2       1.854900     -109.962745
    2       2.442500      213.909047
    2       3.479100     -273.618023
    2       4.956000      207.307495
    1      15.230600       10.787621
    0      13.373000        7.321982
$*********************************************************************
$ Zirconium atom
$ Zr, 28 el. core, 12 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 40
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       1.965600        -.277783
    2       4.826400       -6.661807
    2      12.264600      -38.946832
    2      38.000300      -86.413576
    1     114.343600      -20.213284
$         s-f         
  7
    2       2.708600       51.153516
    2       3.236400     -166.172203
    2       4.534200      354.621204
    2       6.973100     -347.428843
    2      10.917600      262.911128
    1      42.708700       44.855943
    0     158.059200        2.815951
$         p-f         
  7
    2       2.574000       53.143217
    2       3.037500     -172.259283
    2       4.150300      357.748441
    2       6.214700     -387.610016
    2       9.403700      275.607935
    1      29.282400       12.654269
    0      25.482100        5.289265
$         d-f         
  7
    2       1.784100       35.592095
    2       2.089700     -115.194685
    2       2.793300      225.525061
    2       4.069300     -291.767161
    2       5.940600      232.368449
    1      18.744400       11.239657
    0      16.136800        7.275838
$*********************************************************************
$ Niobium atom
$ Nb, 28 el. core, 13 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 41
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       3.444600       -2.129929
    2       9.113400      -22.972625
    2      22.986800      -56.911178
    2      76.266300     -145.998946
    1     234.288900      -21.961235
$         s-f         
  7
    2       2.883100       51.218492
    2       3.439500     -165.877489
    2       4.808500      353.432836
    2       7.367800     -339.012243
    2      11.547700      273.150586
    1      37.814300       19.101344
    0      33.577800        3.366328
$         p-f         
  7
    2       2.753200       52.351341
    2       3.240400     -168.720137
    2       4.413700      349.305287
    2       6.572700     -368.035639
    2       9.911200      271.095633
    1      29.606700       13.240023
    0      25.947300        5.321806
$         d-f         
  7
    2       1.904700       34.022523
    2       2.221000     -109.347620
    2       2.948400      211.431791
    2       4.252900     -270.021983
    2       6.145800      220.205153
    1      18.439900       11.016160
    0      15.867400        7.319996
$*********************************************************************
$ Molybdenum atom
$ Mo, 28 el. core, 14 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 42
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       3.860600       -2.399124
    2      10.363000      -26.344145
    2      26.729100      -62.091402
    2      89.231000     -163.401121
    1     279.542200      -22.591488
$         s-f         
  7
    2       2.998200       48.172923
    2       3.583400     -156.711442
    2       5.012900      332.599149
    2       7.670300     -312.306677
    2      11.451200      157.887227
    1       9.759800       29.968838
    0      37.125200        3.417519
$         p-f         
  7
    2       2.943500       50.966440
    2       3.458800     -164.713084
    2       4.696400      342.272259
    2       6.963000     -351.591886
    2      10.480500      269.402200
    1      29.964900       14.049638
    0      26.686400        5.351060
$         d-f         
  7
    2       2.123000       36.051359
    2       2.497000     -117.101174
    2       3.367700      232.921940
    2       4.961200     -297.790999
    2       7.399500      252.188526
    1      22.868100       11.676087
    0      19.538700        7.262520
$*********************************************************************
$ Technetium atom
$ Tc, 28 el. core, 15 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 43
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       4.288800       -2.687879
    2      11.570500      -28.780562
    2      29.775900      -64.903453
    2      98.041900     -172.066028
    1     307.489300      -22.939361
$         s-f         
  7
    2       2.156300      -27.430157
    2       2.511800       89.004277
    2       3.301700     -170.359006
    2       4.740800      284.859758
    2       6.525600     -137.864454
    1      10.524800       20.885684
    0       7.107400        3.271776
$         p-f         
  7
    2       3.087800       52.821864
    2       3.686300     -173.635394
    2       5.147500      377.185816
    2       7.940200     -400.318775
    2      12.238500      238.462067
    1      10.654500       17.922679
    0      35.278300        5.265448
$         d-f         
  7
    2       2.342300       38.291092
    2       2.781300     -125.351872
    2       3.821700      257.230633
    2       5.768500     -330.658115
    2       8.936600      291.915734
    1      28.750100       12.697310
    0      24.472600        7.192613
$*********************************************************************
$ Ruthenium atom
$ Ru, 28 el. core, 16 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 44
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       4.784200       -3.016806
    2      13.047700      -32.880519
    2      35.185000      -73.656528
    2     119.486400     -202.191050
    1     392.590700      -24.117332
$         s-f         
  7
    2       2.426800      -29.597488
    2       2.813200       95.845137
    2       3.676400     -184.262414
    2       5.286300      326.304686
    2       7.512700     -191.653455
    1      11.465600       49.915137
    0      56.842800        2.909608
$         p-f         
  7
    2       2.044500      -24.951089
    2       2.422300       86.322522
    2       3.224000     -172.209998
    2       4.734700      306.918827
    2       6.777100     -195.847370
    1      11.116600       16.672395
    0       7.635900        5.111609
$         d-f         
  7
    2       2.491000       37.186612
    2       2.949400     -121.859436
    2       4.027600      248.043860
    2       6.028900     -313.838427
    2       9.249100      282.903391
    1      28.466800       12.316150
    0      24.186300        7.235750
$*********************************************************************
$ Rhodium atom
$ Rh, 28 el. core, 17 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 45
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       5.268500       -3.346507
    2      14.527100      -36.279906
    2      39.891000      -79.278254
    2     135.150800     -219.387464
    1     451.730200      -24.894643
$         s-f         
  7
    2       2.339600      -26.990487
    2       2.771900       88.469702
    2       3.759100     -175.115915
    2       5.706200      340.603644
    2       8.720900     -223.211641
    1      13.098300       47.580803
    0      91.695500        2.796382
$         p-f         
  7
    2       2.277500      -22.929081
    2       2.708000       84.586088
    2       3.564200     -171.197433
    2       5.251000      316.751902
    2       7.788300     -225.042054
    1      11.984200       49.744820
    0      70.470000        4.396945
$         d-f         
  7
    2       2.720100       40.014871
    2       3.254900     -131.796392
    2       4.541100      277.170291
    2       6.990000     -353.216335
    2      11.212800      332.408397
    1      36.285600       13.580905
    0      30.696700        7.159873
$*********************************************************************
$ Palladium atom
$ Pd, 28 el. core, 18 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 46
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f        
  5
    2       5.793500       -3.679867
    2      15.972600      -39.081153
    2      44.469400      -84.869286
    2     151.291600     -237.439934
    1     516.648200      -25.764206
$         s-f         
  7
    2       2.481300      -27.054084
    2       2.936200       88.655935
    2       3.974200     -175.509402
    2       6.023400      342.640711
    2       9.197200     -222.098434
    1      13.764400       51.816747
    0      89.989000        2.823146
$         p-f         
  7
    2       2.391500      -28.743251
    2       2.835900       94.628592
    2       3.849900     -189.179204
    2       5.860500      380.367802
    2       9.151000     -312.481483
    1      13.945600       56.351270
    0     101.214100        4.310763
$         d-f         
  7
    2       2.882600       39.281277
    2       3.440200     -129.231515
    2       4.775400      269.753534
    2       7.295900     -337.919089
    2      11.606000      324.829609
    1      36.106900       13.184741
    0      30.479700        7.198914
$*********************************************************************
$ Silver atom
$ Ag, 28 el. core, 19 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 47
ECP 28 4 0
$Potential                                                                       
$    n         Exp.          Coef.
$      f
  5
    2       6.264100       -3.583704
    2      17.344300      -41.529720
    2      49.052200      -90.437640
    2     167.699300     -254.952445
    1     583.984700      -26.654188
$         s-f
  7
    2       2.663100      -27.865314
    2       3.130400       89.866401
    2       4.203600     -176.237830
    2       6.233300      323.629535
    2       8.938600     -149.800874
    1      14.172400       18.868885
    0       9.847400        3.267561
$         p-f
  7
    2       2.525500      -27.751392
    2       3.002200       94.344560
    2       4.046200     -187.945038
    2       6.164900      377.220075
    2       9.546400     -298.965025
    1      14.713400       56.066181
    0      99.159800        4.337621
$         d-f
  7
    2       3.039300       38.588593
    2       3.620400     -126.887046
    2       5.005900      263.188524
    2       7.604500     -325.305981
    2      12.028900      319.688475
    1      36.319500       12.954285
    0      30.562900        7.228974
$*********************************************************************
$ Cadmium atom
$ Cd, 28 el. core, 20 valence el., spin-free
$ Lajohn and Christiansen, JCP 87, 2812 (1987)
$*********************************************************************
A 48
ECP 28 4 0
$Potential
$    n         Exp.          Coef.
$      f        
  5
    2       6.887500       -4.227365
    2      19.102900      -45.168518
    2      55.090800      -97.853906
    2     189.136700     -277.368979
    1     674.748600      -27.822473
$         s-f         
  7
    2       2.953500      -29.605932
    2       3.459100       96.456232
    2       4.605200     -189.332247
    2       6.835800      365.014928
    2      10.110100     -208.191142
    1      15.298400       50.423549
    0      97.101100        2.752938
$         p-f         
  7
    2       2.531000      -27.200862
    2       3.007800       90.017234
    2       4.086900     -179.770458
    2       6.190700      347.079574
    2       9.262800     -229.023443
    1      14.807000       19.486939
    0      10.563000        5.023997
$         d-f         
  7
    2       3.226600       40.551078
    2       3.896000     -133.156220
    2       5.541200      284.732929
    2       8.732000     -357.676375
    2      14.259800      299.064778
    1      12.156300       17.661066
    0      40.440200        7.211610

