Benzene, 1,2,4-tribromo- NIST 06201314163D 1 1.00000 -7945.55745 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 6.3314 1.8645 -0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8526 0.6162 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9493 2.0302 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 0.9635 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 1.2571 -0.5165 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 -0.2837 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0168 -0.4597 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 -1.7754 0.2954 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.7425 0.3699 -0.2696 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 2.6959 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 2.9947 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4296 -1.4265 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 4 5 1 0 6 8 1 0 1 2 1 0 2 7 2 0 7 6 1 0 6 4 2 0 4 3 1 0 1 3 2 0 1 10 1 0 3 11 1 0 7 12 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. > 2013-06-20 > 615-54-3 > Benzene, 1,2,4-tribromo- 1,2,4-Tribromobenzene Nsc 62440 > B3LYP/6-31G* > 1.1719 debye > -7945.55745140 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 75.3781 0.2958 127.9340 0.0720 141.0950 0.0547 155.4633 0.1590 214.9446 0.0123 290.6031 0.2706 309.9310 1.4424 400.7962 2.0805 456.2841 4.6674 463.4004 16.8457 564.1834 3.0387 670.1328 3.4917 738.1681 0.4562 756.9778 28.1423 844.4012 23.8169 932.7838 9.7091 991.3158 0.0014 1019.8268 78.5904 1105.3969 19.7588 1131.1317 31.2788 1171.0996 1.7460 1286.3410 4.3925 1318.9840 0.4872 1405.3499 22.4039 1491.1294 95.0493 1603.7217 9.1090 1612.1837 22.0373 3227.6706 0.2074 3241.2881 0.5815 3249.0077 0.8696 > 0.93995 GHz 0.25489 GHz 0.20052 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$