NIST 07061519163D 1 1.00000 -1306.24233 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 0.8635 -0.2060 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 1.0653 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 2.1681 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5611 3.4169 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1211 4.6130 -1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4172 5.8272 -1.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9023 6.9989 -2.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 6.9845 -2.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 5.7872 -2.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 4.6175 -2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 -1.4462 0.6165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -0.7598 -0.9509 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 1.2723 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 1.9577 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 3.5728 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 5.8447 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 7.9229 -1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 7.8960 -3.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 5.7672 -3.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 3.6994 -2.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 20 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. > 2015-07-06 > 56772-77-1 > B3LYP/6-31G* > 2.5456 debye > -1306.24233186 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 27.5554 0.0549 54.1167 0.0045 61.7198 0.7337 128.9173 0.1861 178.6104 0.2401 209.2577 0.0993 226.8814 0.4545 323.6877 0.0011 336.8106 0.4218 372.0493 2.3045 413.4249 0.0378 465.0750 4.4779 509.5140 33.1668 529.9570 1.2137 599.6879 10.6226 634.2885 0.0226 675.0632 15.8220 702.9999 18.9841 768.3813 39.2327 849.4694 0.0387 854.0721 33.5120 871.7244 1.0518 899.2154 1.8688 900.6531 109.8102 928.4151 0.5828 965.4799 0.0223 993.6036 3.7459 1014.7442 34.5288 1015.2177 0.8743 1058.8487 2.0028 1114.1597 2.1113 1185.2422 11.2034 1194.3291 0.3000 1217.7190 0.7829 1253.9826 0.5397 1278.1431 13.5813 1333.5981 16.2820 1348.1023 3.3888 1372.8930 3.1297 1386.1660 10.3469 1497.8105 6.6575 1545.2312 13.6391 1630.8960 11.7029 1648.5223 28.3309 1661.6189 8.8928 1690.5640 4.3971 3148.0965 13.7905 3179.5414 8.2843 3186.6515 0.2757 3187.3302 3.9448 3196.1536 18.5039 3202.4474 22.0673 3208.5258 15.7976 3214.0762 27.5605 > 2.12202 GHz 0.23280 GHz 0.20978 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$