CCL Home Page
Up Directory CCL se
$basis
*
se TZV
# se    (17s13p6d) / [6s5p2d]     {842111/64111/51}
# SCF energy is    -2399.8183560388 a.u. (virial theorem =  1.999999979)
# R. Ahlrichs, Sept. 93
*
   8  s
  531071.66696      .24108973168E-03
  79603.044117      .18696431441E-02
  18115.844240      .97271616536E-02
  5127.8923194      .39604793031E-01
  1669.9130839      .12948855136
  600.57534527      .30959437289
  233.70021247      .45115769216
  92.672443932      .24579189033
   4  s
  571.57513675     -.26895707881E-01
  177.63686375     -.12670989353
  29.517767052      .57699001719
  12.824399795      .56369075408
   2  s
  19.848235841     -.25132415534
  3.4744018486      .72905416980
   1  s
  1.5988910849      1.0000000000
   1  s
  .38333469387      1.0000000000
   1  s
  .14049742459      1.0000000000
   6  p
  2815.3500566      .25569026854E-02
  666.92558298      .20874026901E-01
  214.34213188      .98772096250E-01
  80.246687942      .28471821221
  32.251081288      .45003584934
  13.106432562      .24416091055
   4  p
  53.366108516     -.21558456273E-01
  8.1827777195      .32662310638
  3.6239945672      .57740499319
  1.6341591401      .34301320826
   1  p
  .58418320228      1.0000000000
   1  p
  .23966269279      1.0000000000
   1  p
  .88785134803E-01  1.0000000000
   5  d
  151.82910279      .93970276988E-02
  44.839992523      .64086503991E-01
  16.328999510      .21834238004
  6.4305057612      .40314789649
  2.5048025169      .41966491490
   1  d
  .90271148434      .18366663432
*
$end
Modified: Fri May 13 16:00:00 1994 GMT
Page accessed 5497 times since Sat Apr 17 22:06:40 1999 GMT