1,5-hexadiene optimisation DFT/B3LYP 6-31G* gauche6 Created by GaussView 5.0.8 16 15 0 0 0 0 0 0 0 0 0 0 1.4725 1.3917 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 1.6443 0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 2.2124 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 0.1492 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7878 -0.0257 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -1.0934 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 -1.8179 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 -1.5705 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -0.9317 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -1.9440 0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4159 -0.4307 1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 -0.2181 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4447 -0.5483 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 0.7346 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 1.1880 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3241 1.0981 1.0046 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