File: f2csr.mop

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mopac 22.0.6%2Bdfsg-1
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*  -258.586
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 SYMMETRY PM7
Thiocarbonyl difluoride
 GR=CHKL1976 <C-S> <C-F> <F-C-S>
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.58900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.31500000 +1  126.4500000 +1    0.0000000 +0     2     1     0
  F     1.31500000 +0  126.4500000 +0  180.0000000 +0     2     1     3
 
   3  1    4
   3  2    4