File: ch3fr.mop

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mopac 22.0.6%2Bdfsg-1
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file content (15 lines) | stat: -rw-r--r-- 491 bytes parent folder | download | duplicates (3) 
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*
*   -48.959
*
 SYMMETRY PM7
Fluoromethane
 GR=JLD1970 <C-H> <C-F> <F-C-H>
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.38200000 +1  108.5000000 +1    0.0000000 +0     2     1     0
  H     1.09800000 +0  108.5000000 +0 -120.0176698 +1     2     1     3
  H     1.09800000 +0  108.5000000 +0  120.0309950 +1     2     1     3
 
   2  1    4    5
   3  2    4    5