File: b2cl4.mop

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mopac 22.0.6%2Bdfsg-1
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*
*  -109.611
*
 SYMMETRY PM7
B2Cl4
 H=-117.1 HR=HLKS1979
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.65340784 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.71122601 +1  119.6727258 +1    0.0000000 +0     2     1     0
 Cl     1.71122601 +0  119.6727258 +0    0.0000000 +0     1     2     3
 Cl     1.71122601 +0  119.6727258 +0  180.0000000 +0     1     2     3
 Cl     1.71122601 +0  119.6727258 +0    0.0000000 +0     2     1     5
 
   3  1    4    5    6
   3  2    4    5    6