File: sof4r.mop

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*  -227.835
*
 SYMMETRY PM7
Sulfur oxide tetrafluoride
 <S=O> <S-F(a)><F(a)-S=O> <S-F(b)> <F(b)-S=O> GR=CRC05 GWT=0.25
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.40300000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.57500000 +1   90.7000000 +1    0.0000000 +0     1     2     0
  F     1.55200000 +1  124.9000000 +1   89.9987430 +0     1     2     3
  F     1.57500000 +0   90.7000000 +0   89.9922740 +0     1     2     4
  F     1.55200000 +0  124.9000000 +0   89.9919650 +0     1     2     5
 
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