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Text File  |  1991-10-06  |  216 b   |  15 lines
  1. $atoms 2
  2. $title
  3. Ethen
  4. $topo
  5. ab
  6. ba
  7. $hmo
  8.   1       orbital energy = +1.0000000
  9.  +0.707107  +0.707107 
  10.   2       orbital energy = -1.0000000
  11.  +0.707107  -0.707107 
  12. $occupation
  13.   1    occ =   2.000000
  14. $end
  15.