1,5-hexadiene optimisation DFT/B3YLP 6-31G* anti3 Created by GaussView 5.0.8 16 15 0 0 0 0 0 0 0 0 0 0 2.6304 0.4720 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 1.4774 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 0.3982 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 -0.6195 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 -1.5953 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -0.6762 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 -1.2620 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 -1.2621 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 0.6762 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 1.2621 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 1.2620 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 0.6195 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 1.5953 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6304 -0.4720 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 -1.4774 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 -0.3982 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0