1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro- NIST 06201314153D 1 1.00000 -2951.64340 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 11 11 0 0 0 0 0 0 0 0999 V2000 -3.0572 -0.7232 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 0.7375 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 -1.2609 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 -1.5411 0.8684 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 1.0815 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 1.7743 0.2796 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -0.1618 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 -2.8949 0.3438 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 2.6309 -0.6389 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.0010 0.9555 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 -0.4798 -1.8808 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 6 1 0 3 8 1 0 5 9 1 0 7 10 1 0 7 11 1 0 7 3 1 0 3 1 2 0 1 2 1 0 2 5 2 0 7 5 1 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2013-06-20 > 77-47-4 > 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro- Cyclopentadiene, hexachloro- 1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene 1,2,3,4,5,5-Hexachlorocyclopentadiene > B3LYP/6-31G* > 0.8392 debye > -2951.64340127 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 60.6413 0.1952 79.7622 0.0000 124.1545 0.0000 131.8820 0.0016 164.8312 0.1225 165.5067 0.0344 172.9016 0.1836 200.0123 0.1831 237.7473 0.6105 336.8908 0.0698 356.5219 2.2853 370.8110 0.2014 388.4474 0.1229 390.2943 0.0000 549.1127 8.2745 643.6576 0.0084 658.6774 0.0001 674.3068 83.2205 709.3814 62.3223 788.8558 165.1992 958.3014 14.6567 961.5790 0.0592 1136.8063 66.7377 1182.8860 15.2229 1238.9944 130.5636 1625.8930 10.1663 1664.4699 101.9837 > 0.53190 GHz 0.50349 GHz 0.30662 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$