NIST 07021517533D 1 1.00000 -1764.67575 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 19 0 0 0 0 0 0 0 0999 V2000 6.8524 1.1932 1.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 1.8122 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8066 1.7689 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 0.5304 1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 1.0908 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 1.0111 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 0.3474 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -0.2777 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 -0.2232 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 0.4538 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -1.0173 3.0312 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4767 1.7729 -2.6172 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 2.6533 -0.2239 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7205 1.2457 2.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8539 2.2503 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6851 0.0536 2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4718 0.3027 -1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -0.8001 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 3 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 4 1 2 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 6 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 10 5 1 0 0 0 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. > 2015-07-02 > R128906 > B3LYP/6-31G* > 1.3739 debye > -1764.67575022 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 80.3553 0.0359 93.1219 1.0645 148.0157 0.0300 150.1891 0.4759 209.6784 0.3061 265.2378 0.8682 295.6995 1.9103 327.7485 0.0287 334.2325 0.0120 379.0778 4.4657 422.3918 4.2179 479.4373 11.8184 508.1126 1.5231 517.8428 1.6111 581.1599 21.8234 590.3797 0.0987 638.2157 1.8969 643.0563 18.2854 698.2242 1.9004 765.2159 1.1135 832.8942 0.6016 837.2689 56.5495 852.4627 37.3582 898.5505 12.8816 920.8926 0.5889 942.1052 0.0029 974.2175 0.0332 992.4575 126.6386 1114.1625 47.8905 1140.3689 2.6334 1181.6975 17.3013 1211.7818 42.0880 1229.4482 12.5330 1286.9508 15.6766 1340.3721 6.3014 1377.9129 36.1976 1395.0177 0.7015 1459.1906 28.9417 1474.0529 18.7029 1539.6495 23.4227 1607.6954 1.6366 1637.7404 45.6138 1664.7238 29.7609 3222.9422 2.0882 3224.1668 0.2121 3235.3661 0.9385 3239.1170 1.8809 3248.7105 0.9657 > 0.65426 GHz 0.42201 GHz 0.25654 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$