$*********************************************************************
$                                                                    *
$             Relativistic Effective Core Potentials                 *
$                                                                    *
$*********************************************************************
$ ECPCE2                                                             *
$ Li,Be,B,C,N,O,F,Ne,Na,Mg                                           *
$*********************************************************************
$ Lithium atom
$ Li, 2 el. core, 1 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 3
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2        .807800        -.118667
    2       2.550000       -1.217794
    1       7.253500       -1.375805
$   s-p      
  4
    2        .799800       24.333699
    2        .774100      -20.666397
    1       1.194300       -1.142892
    0       2.199900        2.994019
$spin-orbit operator
$   p     
  3
    2        .807800         .000070
    2       2.550000        -.000320
    1       7.253500         .001738
$*********************************************************************
$ Beryllium atom
$ Be, 2 el. core, 2 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 4
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2       1.882300        -.258288
    2       6.056600       -2.095509
    1      17.078000       -1.396102
$   s-p      
  4
    2       1.514700      -28.574705
    2       1.584700       35.735227
    1       2.309100       -1.319421
    0       4.200100        2.969725
$spin-orbit operator
$   p     
  3
    2       1.882300         .000454
    2       6.056600        -.001186
    1      17.078000         .005964
$*********************************************************************
$ Boron atom
$ B, 2 el. core, 3 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 5
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2       3.561300        -.434946
    2      11.783200       -3.207452
    1      33.378200       -1.417788
$   s-p      
  4
    2       2.515500      -37.551118
    2       2.680800       51.025499
    1       3.956200       -2.384434
    0       7.410900        2.979742
$spin-orbit operator
   p     
  3
    2       3.561300         .001714
    2      11.783200        -.002960
    1      33.378200         .015104
$*********************************************************************
$ Carbon atom
$ C, 2 el. core, 4 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 6
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p
  3
    2       5.352800        -.559313
    2      18.066800       -4.074550
    1      51.615900       -1.434846
$   s-p      
  4
    2       3.819100      -47.098215
    2       4.173200       71.589258
    1       6.270700       -4.675364
    0      12.211200        3.037970
$spin-orbit operator
$   p
  3
    2       5.352800         .004248
    2      18.066800        -.005600
    1      51.615900         .028402
$*********************************************************************
$ Nitrogen atom
$ N, 2 el. core, 5 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 7
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2       7.479400        -.670937
    2      25.340800       -4.872023
    1      73.088800       -1.456021
$   s-p      
  4
    2       4.172600      -60.381084
    2       4.742500       69.864206
    1       8.161000       -9.608747
    0       2.386000        3.273330
$spin-orbit operator
$   p     
  3
    2       7.479400         .008540
    2      25.340800        -.008408
    1      73.088800         .047118
$*********************************************************************
$ Oxygen atom
$ O, 2 el. core, 6 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 8
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2      10.028600        -.798420
    2      34.198000       -5.766847
    1     100.003900       -1.486456
$   s-p      
  4
    2       2.247900       11.216304
    2       2.404900      -16.344477
    1       4.374000        1.042944
    0       2.189200        2.193891
$spin-orbit operator
$   p     
  3
    2      10.028600         .015566
    2      34.198000        -.012480
    1     100.003900         .073898
$*********************************************************************
$ Fluorine atom
$ F, 2 el. core, 7 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 9
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2      44.516600       -6.723024
    2      12.948700        -.929649
    1     132.496700       -1.526734
$   s-p      
  4
    2       2.883500       12.685306
    2       3.107700      -19.302589
    1       5.612200        1.002179
    0       2.814600        2.245349
$spin-orbit operator
$   p     
  3
    2      44.516600        -.013496
    2      12.948700         .026102
    1     132.496700         .109998
$*********************************************************************
$ Neon atom
$ Ne, 2 el. core, 8 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 10
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2      16.202400       -1.057842
    2      56.173500       -7.718126
    1     170.709500       -1.577675
$   s-p      
  4
    2       3.576200       13.665010
    2       3.882100      -21.938680
    1       6.985300         .921511
    0       3.483800        2.287581
$spin-orbit operator
$   p     
  3
    2      16.202400         .040754
    2      56.173500        -.009508
    1     170.709500         .156908
$*********************************************************************
$ Sodium atom
$ Na, 2 el. core, 9 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 11
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2       1.606800        -.000102
    2      22.523100       -1.715443
    1      76.236500       -1.361911
$      s-p      
  5
    2       2.478300      -14.538661
    2       3.099000       31.911208
    2       3.947100      -32.322246
    1       8.216600        3.140947
    0       1.500800        1.877655
$spin-orbit operator
$   p     
  3
    2       1.606800         .000172
    2      22.523100         .047016
    1      76.236500         .064058
$*********************************************************************
$ Magnesium atom
$ Mg, 2 el. core, 10 valence el., spin-orbit
$ L.F. Pacios and P.A. Christiansen, JCP 82, 2664 (1985)
$*********************************************************************
A 12
ECP  2 2 1
$Potential                                                                       
$    n         Exp.          Coef.
$   p     
  3
    2       1.132000        -.000053
    2      27.305700       -1.932494
    1      93.305600       -1.393847
$      s-p      
  5
    2       2.951600      -15.626710
    2       3.732500       33.531194
    2       4.811800      -36.073072
    1       9.919500        3.129634
    0       1.818500        1.938433
$spin-orbit operator
$   p     
  3
    2       1.132000         .000028
    2      27.305700         .072108
    1      93.305600         .085794

