NIST 06281210053D 1 1.00000 -5238.00414 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 7 6 0 0 0 0 0 0 0 0999 V2000 1.0476 -0.0577 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -0.1274 -0.0133 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -0.0121 -1.8618 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1601 1.4563 0.9451 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -0.1148 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 -0.9426 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 0.8453 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 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. > 2012-06-28 > 10218-83-4 > B3LYP/6-31G* > 1.8750 debye > -5238.00413796 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 173.5253 0.0369 278.2258 5.2348 317.9228 1.4759 347.4227 3.9166 471.5349 7.1190 554.5666 35.3546 988.3358 3.0475 1147.4479 29.2739 1160.4444 3.0002 1452.9386 1.3421 1492.5541 10.4357 1513.6588 3.1689 3050.6660 14.1668 3131.0442 9.2756 3142.3809 3.2579 > 5.56442 GHz 1.25117 GHz 1.04843 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$