File: fe-ch3.mop

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*    66.415
*
 UHF PULAY SEXTET SYMMETRY PM7
Fe-CH3
 DR=BLPB1989 D=0.9
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.99320967 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.08092963 +1  108.8822408 +1    0.0000000 +0     2     1     0
  H     1.08092963 +0  108.8822408 +0  120.0000000 +0     2     1     3
  H     1.08092963 +0  108.8822408 +0 -120.0000000 +0     2     1     3
 
   3  1    4    5
   3  2    4    5