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$basis
*
v TZV
# v     (17s10p6d) / [6s3p3d]     {842111/631/411}
# SCF energy is     -942.8658162122 a.u. (virial theorem =  2.000000031)
# calculation performed in Oh-symmetry with 3d-occupation t2g**3
# R. Ahlrichs, Sept. 93
*
   8  s
  232340.65058      .23072410092E-03
  34828.841170      .17888178962E-02
  7926.5448691      .92992490131E-02
  2243.7733046      .37761463347E-01
  730.59322944      .12255909662
  262.32219631      .28963508811
  101.70403805      .41004702955
  40.064784617      .21113610858
   4  s
  255.24014968     -.24458116338E-01
  78.804646961     -.11527205366
  12.340598946      .55174749453
  5.1742019219      .54504528489
   2  s
  7.6513894469     -.22967638286
  1.2639759898      .71683769077
   1  s
  .53861761721      1.0000000000
   1  s
  .92719296124E-01  1.0000000000
   1  s
  .34998055176E-01  1.0000000000
   6  p
  1184.2369151      .24449826729E-02
  280.23075192      .19643454466E-01
  89.643627137      .90796949190E-01
  33.242411253      .25650768222
  13.144514452      .40815393750
  5.2948534140      .23860378268
   3  p
  20.175586851     -.28241489023E-01
  2.7605865197      .55574635619
  1.1008900902      .99319919270
   1  p
  .42013310739      1.0000000000
   4  d
  43.861134864      .11487174238E-01
  12.516021891      .68247153977E-01
  4.3313854957      .21837784195
  1.6138855773      .39245212296
   1  d
  .58749573961      .42634466786
   1  d
  .19515723011      .22646562601
*
$end
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Modified: Thu Sep 24 15:00:44 1998 GMT
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