%chk=H:\Comp lab - physical\Part 2\SB_DA_1_TS_guess.chk
%nprocshared=2
# opt=(calcfc,ts,noeigen) freq am1 geom=connectivity

TS optimization - butadiene/ethene DA reaction

0 1
 C                 -1.32672290    0.23523926    0.61266282
 C                 -1.32672290    0.23523926   -0.61266282
 C                 -0.03962401   -0.46810055   -1.29743285
 C                  1.71937436    0.57020372   -0.61500000
 C                  1.71937436    0.57020372    0.61500000
 C                 -0.03962401   -0.46810055    1.29743285
 H                 -2.13471186    0.68709390    1.17325012
 H                 -2.13471186    0.68709390   -1.17325012
 H                 -0.04018377   -0.45161086   -2.39069795
 H                  1.74925543    1.60813208   -0.96971443
 H                  2.64368823    0.09323765   -0.96119305
 H                  1.74925543    1.60813208    0.96971443
 H                  2.64368823    0.09323765    0.96119305
 H                 -0.04018377   -0.45161086    2.39069795
 H                 -0.14082324   -1.48444638    0.93825294
 H                 -0.14082324   -1.48444638   -0.93825294

 1 2 2.0 6 1.0 7 1.0
 2 3 1.0 8 1.0
 3 4 1.0 9 1.0 16 1.0
 4 5 1.0 10 1.0 11 1.0
 5 6 1.0 12 1.0 13 1.0
 6 14 1.0 15 1.0
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