Ethane, 1,1,2,2-tetrabromo- NIST 06201314153D 1 1.00000-10364.22860 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 1.4866 2.4254 0.4502 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 0.6203 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2964 -0.5194 -0.6051 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 0.0449 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 -1.5812 0.6672 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -0.2963 2.7372 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.7379 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 0.7435 1.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 2 7 1 0 4 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. > 2013-06-20 > 79-27-6 > Ethane, 1,1,2,2-tetrabromo- 1,1,2,2-Tetrabromoethane 1,1,2,2-Tetrabromoethylene Acetylene tetrabromide > B3LYP/6-31G* > 1.4534 debye > -10364.2286015 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 55.3844 0.1394 109.5090 0.3175 111.8612 0.0070 144.3171 0.0056 177.1199 0.3784 215.9599 0.0951 446.4286 15.9276 530.6561 16.7426 597.6418 85.4616 691.1947 42.2142 693.3391 61.2136 1024.0547 4.4297 1156.1877 34.2721 1172.4448 19.1564 1226.0991 1.1859 1278.1932 23.0660 3178.4696 4.6522 3184.4906 0.7958 > 0.68950 GHz 0.44351 GHz 0.37341 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$