NIST 08031215073D 1 1.00000 -1671.78888 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 12 12 0 0 0 0 0 0 0 0999 V2000 4.2916 0.7022 0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 2.1887 1.3624 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 -0.2686 0.7246 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 0.1567 0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 0.7859 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 -1.2017 1.9281 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5827 1.1622 1.1609 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8909 -0.1302 -0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 0.2927 -1.8131 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 2.0176 -1.3760 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0457 0.2729 -1.2626 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6400 -1.4093 -1.0475 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 6 1 0 4 7 1 0 5 9 1 0 5 10 1 0 8 11 1 0 8 12 1 0 1 4 1 0 4 8 1 0 8 5 1 0 1 5 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 > 356-18-3 > B3LYP/6-31G* > 0.0120 debye > -1671.78888004 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.6829 0.0027 139.9470 0.0052 166.3617 0.1486 180.7886 2.8310 203.9210 0.3053 207.5942 0.2787 248.8957 1.2638 255.5805 0.8137 283.7983 0.0030 308.4932 1.1686 326.3214 1.2569 375.0602 0.2398 384.5254 0.9502 489.0821 0.0087 492.2581 1.9842 535.8412 20.5664 581.9474 28.4585 653.8544 11.2770 789.9455 37.8114 848.8384 148.1355 865.6589 124.9803 976.0569 34.3567 1086.7630 113.8499 1125.6755 2.7060 1209.4987 63.6923 1234.6122 7.0101 1254.5284 277.7987 1284.8045 1.2954 1299.4350 157.7401 1389.8305 125.5270 > 0.82601 GHz 0.77283 GHz 0.59740 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$