NIST 06111405203D 1 1.00000 -1916.10025 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 23 0 0 0 0 0 0 0 0999 V2000 -1.4354 -0.3607 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1568 -0.0665 -0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 -0.7058 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -1.6252 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 -1.9333 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -1.2852 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 0.0669 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6118 -0.6399 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -0.5021 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5731 0.3864 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7488 1.0994 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 0.9473 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8936 -1.4577 1.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 2.2092 -2.5784 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.2973 0.5986 -0.5473 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.9342 -1.4161 1.5392 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 0.6428 -1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 -0.4913 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -2.1077 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 -2.6405 2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 1.5107 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 11 14 1 0 10 15 1 0 9 16 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 13 1 0 13 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 8 7 1 0 7 1 1 0 6 1 1 0 1 2 2 0 3 2 1 0 2 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 12 21 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. > 2014-06-11 > R29798 > B3LYP/6-31G* > 3.8426 debye > -1916.10025372 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 66.1278 0.0637 85.9745 0.0203 95.9658 0.0886 138.9382 0.2207 194.9497 0.0078 206.4873 0.7157 216.1288 0.0933 244.1767 0.0614 297.0995 0.9475 340.3446 0.9410 345.1488 0.0954 355.9261 0.1730 376.0223 0.3126 448.7828 3.4308 499.7759 5.3666 528.1469 0.1022 561.6185 11.8196 578.1695 0.0806 601.1168 2.3774 637.8240 0.2645 638.7694 11.3356 719.8649 4.2286 723.9210 0.2871 758.0809 4.7902 768.9949 54.1356 778.1802 57.2808 839.0182 19.1666 870.2775 0.4102 876.0628 14.1494 888.5858 24.8376 939.5741 1.3256 942.7218 52.2194 980.2392 0.0508 1041.4101 1.7824 1078.5527 27.4553 1140.1483 3.2491 1182.8309 47.5172 1186.7122 14.2277 1222.3633 12.2918 1238.6052 113.6953 1290.2339 10.6316 1333.3643 5.1362 1336.8044 37.0665 1384.1349 2.1712 1426.3861 37.7643 1455.8467 121.0690 1501.7245 52.0534 1525.3877 3.4691 1603.1464 28.5740 1638.4688 6.0086 1646.8230 0.2486 1679.8746 6.6320 3194.7745 0.4797 3204.7976 8.6301 3216.2088 21.4910 3230.4999 6.6148 3232.6615 0.1395 > 0.70305 GHz 0.25475 GHz 0.18699 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$