NIST 06071410553D 1 1.00000 -1917.29537 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 24 0 0 0 0 0 0 0 0999 V2000 8.2644 0.4022 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 1.1545 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4152 1.0256 0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0672 0.1313 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3324 -0.6290 -0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 -0.4879 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2512 1.3798 -1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.6224 -1.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0206 1.0925 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5432 0.3195 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9218 0.0654 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7847 0.6020 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 2.3734 -2.3551 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0585 -1.4777 -2.1909 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5616 -0.9245 2.0091 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4286 -0.3263 1.8119 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5173 1.8478 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 1.6209 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1471 0.0207 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 -1.3319 -1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9243 1.7939 -2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 1.2837 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 2.6593 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 0 8 13 1 0 6 14 1 0 11 15 1 0 10 16 1 0 7 12 2 0 12 11 1 0 11 10 2 0 10 9 1 0 9 8 2 0 7 8 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 2 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 9 22 1 0 13 23 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. > 2014-06-07 > R343487 > B3LYP/6-31G* > 4.1636 debye > -1917.29537344 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.5164 0.4391 52.8022 0.1246 67.7358 0.4785 95.5646 0.1797 151.8586 0.1152 184.3664 0.4749 201.0777 0.5190 210.2462 0.1280 247.2495 0.9144 281.1088 0.1608 300.4459 2.4458 332.7695 0.2894 359.6537 110.9265 373.8939 1.4610 405.9120 0.4723 440.3057 5.6949 444.2338 6.8826 458.4968 5.2828 503.9767 0.9137 579.1774 2.3246 594.9882 5.2240 623.1704 0.6489 646.7183 10.2190 658.1031 30.6881 710.6227 18.8424 717.5004 4.7017 742.9812 3.6391 773.9476 42.0799 831.1269 33.0952 849.6736 19.1582 869.1411 11.8571 880.2761 0.0572 952.4131 12.7067 958.7771 13.5998 988.9850 0.0677 1040.9498 13.3297 1060.5647 26.3519 1078.1953 11.5575 1143.2457 37.3709 1158.5604 6.8811 1195.0615 33.0824 1196.6017 4.9413 1218.6571 135.0678 1266.5022 52.2239 1295.9873 20.1629 1325.6415 4.7321 1332.5003 31.4171 1358.4051 11.6831 1457.5271 160.4420 1479.7859 27.5356 1489.5237 25.3836 1528.9071 23.9331 1623.1621 4.9339 1632.7319 45.4714 1648.3280 93.9366 1653.6697 30.5497 3188.4625 7.6470 3194.0533 0.3448 3204.2534 11.6079 3215.9880 15.0169 3226.5213 6.8775 3241.6705 0.3439 3752.8397 54.9961 > 0.56860 GHz 0.27338 GHz 0.22970 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$