%chk=H:\3rd Year Transition State Computational Labs\tk1414_ex1_ethene_butadiene_TS_MO_2.chk
# opt=(calcfc,ts) freq b3lyp/6-31g(d) geom=connectivity
integral=grid=ultrafine gfprint pop=full

Title Card Required

0 1
 C                 -1.57649600   -0.69304000   -0.22735000
 H                 -1.47376300   -1.23607600   -1.16009800
 H                 -2.07561100   -1.23565900    0.57043700
 C                 -1.57649800    0.69303100   -0.22735500
 H                 -2.07561900    1.23565200    0.57042700
 H                 -1.47376600    1.23606000   -1.16010600
 C                  1.32257400    0.70361000   -0.29000900
 H                  1.87008700    1.21346900   -1.08143800
 C                  0.44700300    1.43721900    0.48978700
 H                  0.39422800    2.51759600    0.37925300
 H                  0.12650000    1.06818500    1.45732200
 C                  1.32258000   -0.70359900   -0.29001100
 C                  0.44701700   -1.43721900    0.48978400
 H                  0.39425100   -2.51759600    0.37924500
 H                  1.87009800   -1.21345100   -1.08144100
 H                  0.12651000   -1.06819100    1.45732100

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 4 5 1.0 6 1.0
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 7 8 1.0 9 2.0 12 1.5
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 9 10 1.0 11 1.0
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 12 13 2.0 15 1.0
 13 14 1.0 16 1.0
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