%chk=\\icnas2.cc.ic.ac.uk\lcl114\Desktop\Y3 TS Comp Lab\Exercise 1 -Reaction of Butadiene with Ethylene\Butadiene Opt gfprint.chk
# opt freq pm6 geom=connectivity integral=grid=ultrafine pop=full gfprint

Title Card Required

0 1
 C                 -0.62503528   -0.41944992    0.00000000
 C                 -1.39239245    0.91575155    0.00000000
 H                 -2.46239245    0.91575155    0.00000000
 C                 -0.71711814    2.09072885    0.00000000
 H                 -1.21807460    2.99992383    0.25943612
 H                  0.32056365    2.10930253   -0.26032963
 H                 -1.09421938   -1.23583025    0.00000000
 C                  0.73016472   -0.41944992    0.00000000
 H                  1.26883092   -1.34397073    0.00000000
 H                  1.26332847    0.50825500    0.00000000

 1 2 1.0 7 1.0 8 2.0
 2 3 1.0 4 2.0
 3
 4 5 1.0 6 1.0
 5
 6
 7
 8 9 1.0 10 1.0
 9
 10

