Methane, bromotrifluoro- NIST 06201314153D 1 1.00000 -2909.32361 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 1.0396 1.9717 0.0002 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.0166 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -0.4355 -0.0002 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 -0.4353 1.0840 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 -0.4354 -1.0835 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 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 > 75-63-8 > Methane, bromotrifluoro- Bromofluoroform Bromotrifluoromethane Cfc 13B1 > B3LYP/6-31G* > 0.1195 debye > -2909.32360720 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 296.3288 0.0312 297.2762 0.0312 331.2046 1.1119 536.7660 1.7774 538.4443 1.7600 749.0605 58.4555 1079.2176 505.3921 1252.8430 261.9376 1253.0887 261.9654 > 5.66083 GHz 2.05231 GHz 2.05214 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$