1,4-Cyclooctadiene NIST 05100211083D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 1 v2000 2.5136 3.7480 1.7769 C 0 0 0 0 0 0 0 0 0 3.6192 3.0196 1.0254 C 0 0 0 0 0 0 0 0 0 1.1207 3.4549 1.2388 C 0 0 0 0 0 0 0 0 0 4.1367 1.7774 1.6571 C 0 0 0 0 0 0 0 0 0 0.7320 2.0252 1.1148 C 0 0 0 0 0 0 0 0 0 3.5078 0.9306 2.4739 C 0 0 0 0 0 0 0 0 0 1.1216 0.9972 1.8690 C 0 0 0 0 0 0 0 0 0 2.1108 1.0535 2.9796 C 0 0 0 0 0 0 0 0 0 2.5642 3.5132 2.8620 H 0 0 0 0 0 0 0 0 0 2.6863 4.8407 1.7088 H 0 0 0 0 0 0 0 0 0 3.2802 2.7633 0.0000 H 0 0 0 0 0 0 0 0 0 4.4747 3.7123 0.8916 H 0 0 0 0 0 0 0 0 0 0.3666 3.9519 1.8835 H 0 0 0 0 0 0 0 0 0 1.0183 3.9266 0.2397 H 0 0 0 0 0 0 0 0 0 5.1715 1.5403 1.3743 H 0 0 0 0 0 0 0 0 0 0.0000 1.8322 0.3190 H 0 0 0 0 0 0 0 0 0 1.8985 0.2412 3.7017 H 0 0 0 0 0 0 0 0 0 2.0058 1.9993 3.5570 H 0 0 0 0 0 0 0 0 0 4.0516 0.0452 2.8270 H 0 0 0 0 0 0 0 0 0 0.7165 0.0000 1.6567 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 1 1 0 0 0 1 9 1 0 0 0 1 10 1 0 0 0 2 4 1 0 0 0 2 11 1 0 0 0 2 12 1 0 0 0 5 3 1 0 0 0 3 13 1 0 0 0 3 14 1 0 0 0 4 6 2 0 0 0 4 15 1 0 0 0 7 5 2 0 0 0 5 16 1 0 0 0 6 19 1 0 0 0 6 8 1 0 0 0 7 20 1 0 0 0 8 7 1 0 0 0 8 17 1 0 0 0 8 18 1 0 0 0 M END > 2002-05-10 > Collection (C) 2012 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 1,4-Cyclooctadiene > 1073-07-0 > PM3 > Karl Irikura > Karl Irikura and Joel Liebman $$$$