NIST 07021514343D 1 1.00000 -1230.07217 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 6.3267 1.8142 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 1.9885 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 0.9630 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 -0.2566 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -0.4322 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8985 0.6052 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3959 0.4330 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 1.1687 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9818 2.6339 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 2.9425 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 -1.9664 0.5340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 -0.3808 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7408 0.1850 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8962 1.3526 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 -1.5697 0.4243 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 2.1809 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 1.0233 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 0.4567 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 2 2 0 0 0 0 4 15 1 0 0 0 0 4 3 1 0 0 0 0 5 11 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 6 5 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 M ISO 8 9 2 10 2 12 2 13 2 14 2 16 2 17 2 18 2 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-07-02 > R389067 > B3LYP/6-31G* > 2.6974 debye > -1230.07216939 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 91.4165 0.0000 130.0083 1.3750 160.7038 0.0004 167.2534 0.0549 221.9504 0.0275 248.3381 1.4050 260.9930 0.0266 295.7312 2.5635 316.5900 0.0001 376.1248 1.9232 454.9378 0.0162 508.0748 0.0011 518.6397 12.0975 521.2838 0.0017 568.6024 2.3321 719.5765 0.0006 730.5522 4.7263 810.9548 22.0535 825.7637 17.8434 916.8125 23.9192 950.7543 0.0006 1034.6374 26.8572 1047.0881 1.0140 1071.6638 0.0146 1076.7934 5.8180 1112.8591 30.6020 1195.4519 0.4337 1256.3729 21.0174 1288.5105 1.1846 1319.9644 0.4876 1413.6140 26.5951 1446.3172 0.0984 1447.0160 0.0036 1498.4256 26.7153 1509.8804 0.0511 1510.4547 13.7061 1519.3861 4.9013 1527.1392 28.8107 1609.7042 0.1332 1649.9639 4.6898 3054.5490 28.7957 3054.7649 10.1241 3110.1078 5.1696 3110.4784 17.9989 3136.3796 10.1438 3136.6801 20.9585 3187.3521 8.2350 3203.8438 19.5245 > 1.25337 GHz 0.95769 GHz 0.54654 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$