File: fecl6.mop

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 LARGE CHARGE=-3 SEXTET  PM7
Title

  Fe       -0.56480             1        -0.17888             1         0.17143             1 
  Cl       -2.02799             1        -0.48345             1        -1.55265             1 
  Cl        0.89832             1         0.12565             1         1.89551             1 
  Cl        0.09932             1         1.80349             1        -0.74238             1 
  Cl       -1.22898             1        -2.16130             1         1.08524             1 
  Cl       -2.18474             1         0.90894             1         1.35402             1 
  Cl        1.05508             1        -1.26674             1        -1.01116             1