NIST 08031215053D 1 1.00000 -5283.51960 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 1.1923 1.4216 -0.0002 B 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -0.4838 -0.0025 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 2.1815 0.0043 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 2.1811 -0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 3.6146 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 3.9282 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 3.9965 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 3.9949 0.8916 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 5 6 1 0 5 7 1 0 5 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 > 29877-99-4 > B3LYP/6-31G* > 2.5874 debye > -5283.51959743 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 54.2830 0.1530 151.7673 3.3161 164.8104 0.7252 172.6510 2.4295 325.7367 11.4256 431.6401 1.0588 476.6838 11.2178 834.5500 362.9016 992.7576 34.7599 1185.5339 0.6881 1202.0672 6.4618 1379.0739 513.6562 1514.7010 2.0365 1527.8438 8.8228 1529.3217 66.3181 3071.5192 31.1772 3148.9974 17.6522 3173.9254 21.1541 > 2.54464 GHz 1.08540 GHz 0.76454 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$