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$basis
*
k ecp-18 dz.mod hay & wadt
# derived from JCP 82, 270-298 (1985)
# optimized for K2Cl
# C.Ochsenfeld and R.Ahlrichs, Ber.Bunsenges.Phys.Chem. 98, 34 (1994)
# SCF(2S) total energy is -.14424751675 a.u.
# k     (3s2p) / [2s2p]     {21/11}
*
   2  s
  .20352906248     -.66072072328
  .64866280694E-01  .37337099709
   1  s
  .21011505139E-01  1.0000000000
   1  p
  .20184528395      1.0000000000
   1  p
  .29307700121E-01  1.0000000000
*
cl ecp-10 dz.mod hay & wadt
# derived from JCP 82, 270-298 (1985)
# optimized for K2Cl
# C.Ochsenfeld and R.Ahlrichs, Ber.Bunsenges.Phys.Chem. 98, 34 (1994)
#  SCF(2P) total energy is -14.685898112 a.u.
# cl    (4s4p1d) / [2s2p1d]     {31/31/1}
*
   3  s
  1.9664880283     -.38558415252
  .95909054690      .31267720181
  .31406742252      .72058116599
   1  s
  .10005437872      1.0000000000
   3  p
  5.7224372658     -.39646493153E-01
  .73292219680      .40822251484
  .27208478097      .50874582211
   1  p
  .10233273376      1.0000000000
   1  d
  .17006893967      1.0000000000
*
$ecp
# W.R.Wadt and P.J.Hay, J.Chem.Phys.82, 270-298 (1985)
# not modified
*
k ecp-18
*
  ncore =    18           lmax =     2
#        coefficient   r^n          exponent
d
         -18.0000000    1         107.3810865
         -63.7625207    2          19.9413498
         -15.6426437    2           4.2697333
          -5.0502393    2           1.0926291
           -.8055766    2            .3594045
s-d
           3.0000000    0          27.1076482
          22.9220976    1          10.9915385
          32.8399986    2           3.1237645
          15.5672939    2           1.7372696
           5.2099815    2            .4999159
p-d
           5.0000000    0           6.6617383
          14.0261987    1           2.1231073
           8.4093418    2            .8214406
          -4.3049715    2            .4472918
           5.0151840    2            .3568265
*
cl ecp-10
*
  ncore =    10           lmax =     2
#        coefficient   r^n          exponent
d
         -10.0000000    1          94.8130000
         -66.2729170    2         165.6440000
         -28.9685950    2          30.8317000
         -12.8663370    2          10.5841000
          -1.7102170    2           3.7704000
s-d
           3.0000000    0         128.8391000
          12.8528510    1         120.3786000
         275.6723980    2          63.5622000
         115.6777120    2          18.0695000
          35.0606090    2           3.8142000
p-d
           5.0000000    0         216.5263000
           7.4794860    1          46.5723000
         613.0320000    2         147.4685000
         280.8006850    2          48.9869000
         107.8788240    2          13.2096000
          15.3439560    2           3.1831000
*
$end
Modified: Fri May 13 21:39:59 1994 GMT
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