1,5-hexadiene optimisation DFT/B3LYP 6-31G* gauche1 Created by GaussView 5.0.8 16 15 0 0 0 0 0 0 0 0 0 0 -1.6855 -1.0089 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 -1.1555 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 -1.7091 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 -0.0374 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 0.0401 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 1.0221 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 2.0012 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 0.9691 -1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 1.0221 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 2.0012 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 0.9691 1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -0.0374 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4639 0.0401 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6855 -1.0089 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 -1.7091 -0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 -1.1555 -1.3017 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