NIST 07061517373D 1 1.00000 -5339.98182 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 16 0 0 0 0 0 0 0 0999 V2000 0.9031 -0.1438 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 -0.0570 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 0.7862 -1.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 0.3401 -2.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 1.2129 -3.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 0.7306 1.6191 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 -1.9107 -0.2024 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -0.7176 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.6305 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4845 0.8650 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0224 0.7976 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 1.8167 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 0.3883 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -0.7077 -2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 2.2662 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 0.8892 -4.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 1.1567 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 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. > 2015-07-06 > 54653-26-8 > B3LYP/6-31G* > 2.4785 debye > -5339.98181971 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 68.9473 0.1306 112.2995 0.2373 130.4383 0.4398 167.0630 0.0859 247.9022 0.2793 263.9327 1.7172 275.8443 0.7391 293.8831 4.4875 302.3631 3.1636 308.9457 1.9503 390.2135 2.1238 528.1066 31.4722 634.5804 60.3217 761.2621 5.7840 870.1811 6.3939 891.7322 4.1988 943.1956 1.2088 1029.0044 5.3413 1052.6847 2.3285 1085.2462 23.0855 1133.8790 43.0569 1183.0137 31.0564 1207.7182 3.6728 1291.0997 6.4495 1331.6448 2.7276 1350.0006 2.6876 1409.1060 2.2243 1440.6592 3.1248 1443.5954 7.7337 1500.5662 1.1897 1512.1961 3.5911 1519.1946 4.8315 1524.5293 1.4836 1530.7362 7.3054 1539.5405 3.6638 3045.1374 10.2877 3047.3176 16.2928 3052.3778 28.1269 3063.9445 11.1697 3089.9757 1.3870 3106.8375 2.5427 3119.6285 45.8339 3120.8375 40.6323 3132.8132 9.9588 3164.7864 5.4448 > 1.16610 GHz 0.79633 GHz 0.55916 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$