CCL Home Page
Up Directory CCL zn
$basis
*
zn TZV
# zn    (17s10p6d) / [6s3p3d]     {842111/631/411}
# SCF energy is    -1777.8041670399 a.u. (virial theorem =  2.000000005)
# R. Ahlrichs, Sept. 93
*
   8  s
  405924.31028      .22442017483E-03
  60846.955735      .17402086626E-02
  13847.343092      .90513339565E-02
  3919.6158551      .36817341445E-01
  1276.3594167      .12004850256
  458.67254435      .28576057621
  178.28725246      .41087462062
  70.612192837      .21816962456
   4  s
  443.88077950     -.24934274984E-01
  137.55875267     -.11817955766
  22.268083479      .55367318468
  9.5217310606      .52628934936
   2  s
  14.874114065     -.22929955254
  2.4647517612      .71135484742
   1  s
  1.0113272238      1.0000000000
   1  s
  .14919852089      1.0000000000
   1  s
  .51441872981E-01  1.0000000000
   6  p
  2205.3508534      .23356240448E-02
  522.35300699      .19031022634E-01
  167.73055542      .89955758675E-01
  62.670045373      .26113248631
  25.109749456      .42348448173
  10.225142681      .24618926885
   3  p
  40.713442521     -.30029667592E-01
  5.6247090696      .55575254864
  2.2279949116      .95581013442
   1  p
  .83354741691      1.0000000000
   4  d
  88.554315311      .12728170015E-01
  25.721525557      .79394499843E-01
  9.1278367624      .24491506805
  3.4312364064      .40390526479
   1  d
  1.2308920645      .40158491145
   1  d
  .39031845112      .21579805034
*
$end
Modified: Fri May 13 16:00:00 1994 GMT
Page accessed 5351 times since Sat Apr 17 22:06:42 1999 GMT