NIST 08031215073D 1 1.00000 -376.27321 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 6 5 0 0 0 0 0 0 0 0999 V2000 32.0085 18.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6820 17.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9488 19.1009 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 29.9407 16.9022 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 32.7101 16.8670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 32.5890 18.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 5 1 0 2 3 1 0 2 4 1 0 1 6 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 > 359-11-5 > B3LYP/6-31G* > 1.1695 debye > -376.273212238 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 225.5406 4.1858 305.1082 4.1251 479.7597 1.7369 555.6208 1.3230 620.0225 2.8663 774.1316 27.4326 946.5234 56.0801 1189.3035 134.4535 1297.5235 181.2853 1395.2952 111.0596 1850.8147 66.1350 3271.4192 6.8083 > 10.51798 GHz 3.83345 GHz 2.80949 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$