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$basis
*
ga TZV
# ga    (17s12p6d) / [6s5p2d]     {842111/63111/51}
# only 2 p GTOs for 4p AO
# SCF energy is    -1923.2179912187 a.u. (virial theorem =  1.999999998)
# R. Ahlrichs, Sept. 93
*
   8  s
  435548.66254      .23646329650E-03
  65289.589031      .18335271776E-02
  14858.784256      .95371863081E-02
  4205.9734729      .38803412468E-01
  1369.6416431      .12661604848
  492.30348905      .30175310292
  191.41923233      .43543934218
  75.840558665      .23282363780
   4  s
  474.30810613     -.26743707958E-01
  147.10297560     -.12654657542
  23.982599435      .58840346839
  10.298230094      .56324271589
   2  s
  16.050381430     -.24516439508
  2.6988468784      .74578049593
   1  s
  1.1428588736      1.0000000000
   1  s
  .20217652251      1.0000000000
   1  s
  .71980152032E-01  1.0000000000
   6  p
  2432.0171070      .22434065928E-02
  576.12049582      .18342265336E-01
  185.11584354      .87279697167E-01
  69.246572556      .25684868351
  27.818107777      .42398378107
  11.420229938      .25701340043
   3  p
  42.819661530     -.19326519119E-01
  6.3885901000      .31571386917
  2.6698993326      .57617792822
   1  p
  1.0781783834      1.0000000000
   1  p
  .22796559371      1.0000000000
   1  p
  .62836234833E-01  1.0000000000
   5  d
  103.92331829      .11464613652E-01
  30.371094389      .73625747383E-01
  10.872078097      .23505107382
  4.1549137954      .40318563513
  1.5345659145      .40824748152
   1  d
  .51114263830      .20502439263
*
$end
Modified: Fri May 13 16:00:00 1994 GMT
Page accessed 5410 times since Sat Apr 17 22:06:34 1999 GMT