NIST 07191421273D 1 1.00000 -3716.55337 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 21 0 0 0 0 0 0 0 0999 V2000 -3.7876 -0.4007 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -1.7768 1.5815 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 -3.0128 -0.8798 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1603 -1.1929 1.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0966 -1.4708 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.0954 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 -0.6071 -0.6198 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 2.2212 0.1224 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 3.2619 0.3687 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 1.2624 -0.1073 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 -1.7435 -0.8226 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -2.7276 -1.0550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 0.7070 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 -0.6365 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 -1.0832 -0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 -0.1878 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 1.1490 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 1.6032 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 -0.2348 -1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 0.5351 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 -0.7229 -0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 5 1 1 0 0 0 0 5 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 13 10 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 11 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 16 17 2 0 0 0 0 17 8 1 0 0 0 0 17 18 1 0 0 0 0 18 9 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. > 2014-07-19 > 116402-62-1 > B3LYP/6-31G* > 2.5640 debye > -3716.55337017 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.7634 0.5227 37.4183 0.2327 37.8438 0.1076 46.7918 0.4123 70.8324 0.0049 80.6473 0.1233 106.9194 0.2653 136.5449 0.2479 182.1178 0.4048 189.7799 2.1807 217.5731 0.0254 218.9737 0.2862 231.4707 0.1327 233.8234 0.0071 242.1212 0.7993 296.3287 0.5549 298.6487 1.9039 314.7388 0.6333 323.5331 0.2973 339.7632 0.0057 345.3504 0.0675 352.0161 0.3942 369.4917 0.4295 384.0055 0.1041 388.2718 1.6378 511.6444 13.7663 513.6555 27.9378 602.4454 0.0055 613.1001 7.9052 653.7256 10.4314 678.2829 27.2067 697.9172 6.0860 716.3221 113.9487 736.3920 8.3510 771.0233 15.6656 805.6568 91.4471 885.4321 0.2840 890.8244 20.5122 979.4548 2.5590 1082.6322 101.4728 1099.3129 445.0822 1117.8432 29.6437 1135.0089 27.8921 1224.8923 171.2129 1267.3379 9.6602 1280.5543 0.6224 1379.5391 151.3028 1407.3840 289.0128 1440.7104 8.6838 1510.4248 11.1553 1513.6260 10.8866 1571.6929 3.1223 1573.7547 0.4309 1882.8143 145.8335 3082.0843 2.5942 3160.7688 3.7123 3180.6390 4.6106 > 0.36701 GHz 0.14160 GHz 0.10955 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$