NIST 08031215073D 1 1.00000 -1657.06557 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 8 7 0 0 0 0 0 0 0 0999 V2000 17.7435 45.8762 0.3087 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.0023 44.2790 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2127 43.0937 -0.5697 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.3252 43.7290 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8308 42.5072 1.0296 F 0 0 0 0 0 0 0 0 0 0 0 0 17.1961 43.6273 2.3042 F 0 0 0 0 0 0 0 0 0 0 0 0 14.9561 44.7839 1.7961 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.2498 44.3907 -0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 4 7 1 0 2 8 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. > 2012-08-03 > 354-21-2 > B3LYP/6-31G* > 1.2214 debye > -1657.06556648 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 66.9313 0.0193 166.1259 0.8368 213.5740 1.1768 245.2807 0.5978 301.7806 0.2952 342.5425 1.0346 417.4204 2.4069 423.7199 0.9671 585.5750 15.8121 742.5894 140.0573 761.0542 56.4171 819.1841 78.4556 977.8804 168.3986 1176.3302 158.5675 1239.1338 138.3518 1265.4894 10.7804 1333.4046 21.1077 3180.7383 2.3176 > 1.87898 GHz 1.23022 GHz 0.88444 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$