NIST 08031215103D 1 1.00000 -1334.80884 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 8 0 0 0 0 0 0 0 0999 V2000 40.0181 19.9641 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5088 20.0005 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7048 18.8931 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7362 21.3995 0.7549 Cl 0 0 0 0 0 0 0 0 0 0 0 0 38.0917 21.0077 -0.7714 F 0 0 0 0 0 0 0 0 0 0 0 0 38.0260 18.8496 -0.4951 F 0 0 0 0 0 0 0 0 0 0 0 0 37.9542 20.1768 1.2285 F 0 0 0 0 0 0 0 0 0 0 0 0 42.4214 18.7445 -0.2481 Cl 0 0 0 0 0 0 0 0 0 0 0 0 40.1929 18.0271 -0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 1 0 2 6 1 0 2 7 1 0 3 8 1 0 3 9 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 > 431-27-6 > B3LYP/6-31G* > 1.1822 debye > -1334.80884070 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 46.3279 0.0008 149.1781 1.2670 161.8593 0.8085 200.3026 0.5396 313.5765 0.3783 324.3704 0.9629 368.8620 0.3308 486.0299 0.0180 551.1053 4.9327 625.4540 4.9104 637.4487 13.3235 711.8773 41.4110 854.5522 28.8257 859.0507 85.1972 979.8746 75.6069 1214.4363 266.1562 1227.7064 181.4945 1289.5433 219.6345 1312.4685 113.0516 1690.4889 70.2543 3264.7821 10.3240 > 2.17705 GHz 0.92712 GHz 0.73480 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$