NIST 08101209293D 1 1.00000 -353.50484 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 29.8745 17.0314 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1122 17.5827 0.2243 F 0 0 0 0 0 0 0 0 0 0 0 0 30.0358 15.6938 -0.2226 F 0 0 0 0 0 0 0 0 0 0 0 0 29.0815 17.1520 1.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8095 16.5511 1.2161 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3862 17.4980 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 29.6830 16.7080 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9195 18.2081 1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9607 15.6173 0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 4 5 1 0 1 6 1 0 4 7 1 0 4 8 1 0 5 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. > 2012-08-10 > 359-13-7 > B3LYP/6-31G* > 0.2222 debye > -353.504837823 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 137.0287 9.9423 238.2227 2.4165 407.2881 123.9992 437.0106 42.7201 496.4025 7.9607 567.6342 1.1024 890.0945 38.6389 1088.7092 67.9411 1117.3205 4.4415 1133.5590 209.6233 1145.5972 70.7244 1238.7442 32.9724 1354.5828 11.8062 1411.1727 54.9897 1428.1246 27.4352 1468.0338 7.2438 1524.5667 1.5743 3024.1212 36.7992 3105.0424 42.1848 3132.1760 30.0096 3737.5046 23.6198 > 9.02103 GHz 3.75573 GHz 2.85401 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$