NIST 08101209293D 1 1.00000 -1914.10399 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 19 0 0 0 0 0 0 0 0999 V2000 0.4813 -2.0739 1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 -2.9937 -0.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -1.9751 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 -0.6565 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 -0.7625 -0.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 1.9202 -1.7811 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4435 -2.0130 0.7150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0688 -0.1540 0.6713 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 1.6729 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5553 0.3980 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 -0.4137 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 0.0561 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 1.3377 -1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3005 2.1427 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -2.6694 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 0.1524 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7115 -0.4625 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3811 2.2921 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2509 3.1314 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 3 2 1 0 4 3 1 0 5 4 1 0 12 5 1 0 13 6 1 0 11 7 1 0 10 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 2 0 2 15 1 0 4 16 1 0 4 17 1 0 9 18 1 0 14 19 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. > 2012-08-10 > 4007-00-5 > B3LYP/6-31G* > 5.3754 debye > -1914.10398933 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.0090 0.6277 31.3396 1.1455 55.1629 0.6674 93.0743 6.6101 101.8899 4.5367 144.7013 3.7248 172.8770 2.7002 206.1327 0.0953 240.7457 4.2778 289.0100 2.7616 301.9726 1.8371 319.2133 2.9181 338.2039 0.2975 414.1801 1.4382 464.4726 11.7280 502.0900 8.5825 539.0705 3.2757 553.5385 20.6684 597.4146 1.9978 603.2110 11.7809 628.6204 25.1060 655.6281 53.7611 670.2792 18.1530 747.5697 3.6458 812.0936 48.5253 819.6218 28.4459 885.8139 20.3087 918.5420 41.6760 951.8748 0.5557 1029.4590 54.7710 1044.3706 115.9425 1115.1824 8.7512 1164.8254 3.8328 1207.7623 41.1265 1232.5771 9.1095 1250.5893 5.2474 1278.3765 93.9479 1307.2878 3.0194 1373.5360 137.5289 1405.8299 354.0683 1434.2034 64.7637 1484.0678 147.3955 1508.2309 7.3006 1606.9913 2.2979 1613.0803 6.3727 1889.7730 345.8553 3078.7241 11.9329 3137.3292 5.9845 3226.6439 0.1062 3239.0395 0.1068 3640.5233 156.2857 > 0.61341 GHz 0.35359 GHz 0.23512 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$