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$basis
*
ge TZV
# ge    (17s12p6d) / [6s5p2d]     {842111/63111/51}
# only 2 p GTOs for 4p AO
# SCF energy is    -2075.3151346008 a.u. (virial theorem =  1.999999993)
# R. Ahlrichs, Sept. 93
*
   8  s
  466115.00592      .22487264660E-03
  69875.420762      .17435426729E-02
  15903.276716      .90691482206E-02
  4501.8233453      .36906174685E-01
  1466.0570924      .12050167907
  527.07841728      .28748641703
  205.00395074      .41622321885
  81.251596065      .22397845695
   4  s
  505.74661282     -.25184609291E-01
  156.96593744     -.11898929721
  25.761448176      .54930135870
  11.106654687      .52939309129
   2  s
  17.272059104     -.22854595728
  2.9438289048      .68377930317
   1  s
  1.2839164916      1.0000000000
   1  s
  .25873337445      1.0000000000
   1  s
  .93524913177E-01  1.0000000000
   6  p
  2633.9346241      .22143925310E-02
  624.00161628      .18140899141E-01
  200.58528404      .86632184922E-01
  75.097081525      .25649020592
  30.214388474      .42658611262
  12.440087567      .26200527313
   3  p
  45.981316002     -.20321767678E-01
  6.9945654416      .32013744527
  2.9686001327      .59051014555
   1  p
  1.2320988495      1.0000000000
   1  p
  .28981614974      1.0000000000
   1  p
  .85564606447E-01  1.0000000000
   5  d
  119.44887581      .10586544521E-01
  35.062915293      .69601280945E-01
  12.636924529      .22807035287
  4.8888672922      .40301067220
  1.8453195392      .41304847015
   1  d
  .63571158892      .19639209740
*
$end
Modified: Fri May 13 16:00:00 1994 GMT
Page accessed 5333 times since Sat Apr 17 22:06:34 1999 GMT