1,5-hexadiene optimisation DFT/B3YLP anti2 Created by GaussView 5.0.8 16 15 0 0 0 0 0 0 0 0 0 0 2.9992 0.2030 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0371 1.2892 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -0.3270 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 -0.4408 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8903 -1.5317 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 0.2125 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 1.3043 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 -0.0515 1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -0.2125 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 -1.3044 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 0.0515 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 0.4408 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8902 1.5317 -0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 -0.2030 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0372 -1.2892 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9224 0.3271 0.3692 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