File: bf3r.mop

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mopac 22.0.6%2Bdfsg-1
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*  -271.601
*
 SYMMETRY PM7
Boron trifluoride
 <B-F> GR=GKO1968 GWT=0.333
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.30900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.30900000 +0  120.0000000 +0    0.0000000 +0     2     1     0
  F     1.30900000 +0  120.0000000 +0  180.0000000 +0     2     1     3
 
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