Methane, bromotrichloro- NIST 06201314153D 1 1.00000 -3990.36404 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 5 4 0 0 0 0 0 0 0 0999 V2000 0.9889 0.8450 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 2.4043 0.0003 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 1.1353 0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4953 -0.1811 1.5999 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -0.0955 -1.4624 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 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. > 2013-06-20 > 75-62-7 > Methane, bromotrichloro- Bromotrichlormethane Bromotrichloromethane Carbon bromide trichloride (CBrCl3) > B3LYP/6-31G* > 0.1770 debye > -3990.36403821 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 191.9064 0.0039 192.0651 0.0032 244.1624 0.4629 296.1736 0.1312 296.3529 0.1332 416.9986 0.4114 688.2707 179.7909 746.7034 180.6077 747.8024 180.4282 > 1.68703 GHz 1.13081 GHz 1.13069 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$