AOMix Calculation (eta-6-Allyl)Cr(CO)3 B3LYP Tzvp Created by GaussView 3.09 26 25 0 0 0 0 0 0 0 0 0 0 0.7659 -0.0473 0.0199 Cr 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.1206 2.1979 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 -1.3350 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 -2.1830 -1.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -1.3734 -1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -0.4884 -0.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 -0.3326 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 1.5306 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 2.0747 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 2.0750 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2451 1.5222 1.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 0.9797 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 0.9772 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 1.5077 -2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 2.4666 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 2.4665 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 1.4843 2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6774 0.5376 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5605 0.4580 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 0.1082 -1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 1.3034 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 -0.6433 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 -1.5619 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3953 -0.5630 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9992 0.3366 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8183 -1.3976 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 3 3 0 0 0 0 4 5 3 0 0 0 0 6 7 3 0 0 0 0 8 9 4 0 0 0 0 8 13 4 0 0 0 0 8 14 1 0 0 0 0 9 10 4 0 0 0 0 9 15 1 0 0 0 0 10 11 4 0 0 0 0 10 16 1 0 0 0 0 11 12 4 0 0 0 0 11 17 1 0 0 0 0 12 13 4 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0