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gougou531

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ApolloYang

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gougou531(½ð±Ò+1): È»ºóÔõô¿´ÕâЩÊý¾Ý°¡£¬´ÓÄÇ¿ÉÒÔ¿´³öËüµÄ¼Û̬°¡£¬Ð»Ð»¡£°ï°ïæ°¡£¬ 2011-11-22 20:53:51
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total charge     

# of ion     s       p       d       tot
----------------------------------------
  1        0.717   0.128   0.000   0.845
  2        0.722   0.126   0.000   0.848
  3        0.716   0.132   0.000   0.849
  4        0.724   0.126   0.000   0.850
  5        0.718   0.128   0.000   0.846
  6        0.725   0.124   0.000   0.849
  7        0.723   0.126   0.000   0.850
  8        0.718   0.128   0.000   0.846
  9        0.718   0.128   0.000   0.846
10        0.718   0.129   0.000   0.847
11        0.717   0.129   0.000   0.845
.............................

112        1.343   2.343   0.000   3.686
113        1.226   2.132   0.000   3.358
114        1.340   2.351   0.000   3.691
115        1.339   2.359   0.000   3.697
116        1.343   2.343   0.000   3.686
117        0.479   0.386   9.798  10.662
118        0.479   0.386   9.798  10.662
119        0.479   0.386   9.798  10.663
120        0.479   0.386   9.798  10.662
------------------------------------------------
2Â¥2011-11-22 15:25:03
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