Benzene, 2-bromo-1,3-dimethyl- NIST 06201314163D 1 1.00000 -2881.99194 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 6.3346 1.8856 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 0.6376 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9499 1.9939 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2352 3.0720 -0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 -0.4812 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7262 0.4507 -0.0010 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6368 -0.3165 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5732 -1.8119 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 0.9067 -0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 2.9496 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 2.8596 -1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 3.9444 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7926 3.3338 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9797 -1.1664 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2935 -2.1998 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 -1.7261 1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7726 -2.5477 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 1.0124 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 6 1 0 5 8 1 0 1 2 1 0 2 5 2 0 5 7 1 0 7 9 2 0 9 3 1 0 1 3 2 0 3 10 1 0 4 11 1 0 4 12 1 0 4 13 1 0 7 14 1 0 8 15 1 0 8 16 1 0 8 17 1 0 9 18 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 > 576-22-7 > Benzene, 2-bromo-1,3-dimethyl- m-Xylene, 2-bromo- 1-Bromo-2,6-dimethylbenzene 2,6-Dimethyl-1-bromobenzene > B3LYP/6-31G* > 1.2961 debye > -2881.99193859 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 106.4468 0.4100 155.2542 0.1490 165.6901 0.2615 211.4403 0.1534 233.1019 0.0016 248.7535 4.3600 255.0224 2.2204 359.0797 0.2667 457.7850 0.0523 521.4828 0.0283 532.8452 0.0005 535.9673 1.7103 572.8782 7.3708 743.3545 2.9245 766.2331 6.8065 791.5305 27.9685 905.9696 0.0001 931.0334 1.4555 979.5836 0.1562 1022.4648 5.7828 1033.2722 54.4929 1065.4366 0.3321 1076.1264 5.8725 1077.4069 0.0008 1139.7511 0.0845 1202.1489 0.5257 1287.3569 1.1636 1289.8917 0.0738 1333.9079 1.1858 1444.1228 0.8906 1446.8193 1.9792 1452.6229 10.3772 1503.2986 0.5220 1511.8972 14.1236 1512.9825 1.7464 1526.7724 23.7456 1527.6180 21.1881 1635.3166 3.2327 1644.9178 3.2823 3051.8779 27.7160 3052.6227 6.7877 3107.2446 11.2312 3107.8805 11.9246 3134.0680 21.5612 3134.6643 16.3866 3182.4763 0.0612 3190.4715 23.3240 3207.9904 25.5518 > 1.73674 GHz 0.97343 GHz 0.62863 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$