%chk=\\icnas2.cc.ic.ac.uk\ap3714\Desktop\3rdyearlab\ex1\butadiene_manual_displacement.chk
# opt freq pm6 geom=connectivity integral=grid=ultrafine pop=full gfprint

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0 1
 C                 -0.08000000    1.50568500   -0.51064500
 H                  0.11000000    2.58521400   -0.46808000
 H                 -0.45999900    1.12016800   -1.52023900
 C                  0.12999900    0.73417500    0.57922500
 H                  0.49999900    1.18510300    1.57683900
 C                 -0.12999900   -0.73417500    0.57922500
 H                 -0.49999900   -1.18510300    1.57683900
 C                  0.08000000   -1.50568500   -0.51064500
 H                 -0.11000000   -2.58521400   -0.46808000
 H                  0.45999900   -1.12016800   -1.52023900

 1 2 1.0 3 1.0 4 2.0
 2
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 4 5 1.0 6 1.0
 5
 6 7 1.0 8 2.0
 7
 8 9 1.0 10 1.0
 9
 10