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$basis
*
ni TZV
# ni    (17s10p6d) / [6s3p3d]     {842111/631/411}
# SCF energy is    -1506.8362124850 a.u. (virial theorem =  2.000000000)
# calculation performed in Oh-symmetry with 3d-occupation t2g**6 eg**2
# R. Ahlrichs, Sept. 93
*
   8  s
  351535.72935      .22529386884E-03
  52695.809283      .17468616223E-02
  11992.468293      .90849992136E-02
  3394.5776689      .36940748447E-01
  1105.3594585      .12032819950
  397.14677769      .28596715057
  154.27542974      .40983020196
  61.018723780      .21620642851
   4  s
  384.45559739     -.24651279268E-01
  119.04879199     -.11658505277
  19.137012223      .54864126676
  8.1526718562      .52640051122
   2  s
  12.579408642     -.22797884293
  2.0870866081      .70703738215
   1  s
  .86432568555      1.0000000000
   1  s
  .13283169217      1.0000000000
   1  s
  .46845327726E-01  1.0000000000
   6  p
  1883.0907486      .23748258443E-02
  445.95155320      .19289457172E-01
  143.08430815      .90718211507E-01
  53.372920722      .26181414117
  21.321919357      .42309149832
  8.6643561994      .24641686015
   3  p
  34.144255211     -.29677129163E-01
  4.7122455921      .55616824096
  1.8709231845      .96357766460
   1  p
  .70370016267      1.0000000000
   4  d
  74.591603465      .12077454672E-01
  21.590632752      .74637262154E-01
  7.6246142580      .23236775502
  2.8632206762      .39042651680
   1  d
  1.0311063388      .39509498921
   1  d
  .33060760691      .21138769167
*
$end
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Modified: Thu Sep 24 14:57:41 1998 GMT
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