NIST 07021523033D 1 1.00000-10821.73981 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 23 0 0 0 0 0 0 0 0999 V2000 -3.6109 -0.6290 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9914 -0.5085 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5463 0.3761 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 1.1035 -1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 0.9481 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7744 0.0740 -0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.7118 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -1.6294 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 -1.9321 1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5721 -1.2783 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 -0.3548 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1409 -0.0696 -0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8854 -1.4485 1.1992 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3398 1.9432 -2.6647 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.4384 0.6109 -0.5450 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 -3.1548 2.8495 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.4552 1.6816 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.5977 -1.0673 1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 1.7810 -2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 -0.5092 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 0.6360 -1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 14 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 7 20 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 21 1 0 0 0 0 13 1 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. > 2015-07-02 > R171123 > B3LYP/6-31G* > 1.2878 debye > -10821.7398122 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 31.9165 0.0057 53.9939 0.0822 77.3837 0.0668 94.7243 0.1449 106.6079 0.0438 133.2577 0.0345 149.1127 0.2260 163.9021 0.0038 191.2843 0.0978 223.7771 0.8219 246.8790 0.3821 289.7621 4.3118 300.8574 1.8925 339.6126 0.2084 373.9737 7.2945 379.9091 0.2258 419.9074 4.0016 546.3368 0.2499 552.2375 0.2454 559.4613 0.4640 588.8140 1.3602 614.6651 6.1063 616.2045 0.3697 629.5384 1.1197 715.3809 8.6695 747.9076 50.1459 778.1817 2.5088 829.9137 15.6074 845.4809 7.4840 857.2959 8.5874 894.7310 21.5666 896.2131 40.4768 913.2559 8.5461 944.6616 167.0086 994.2882 0.0015 1044.4931 11.1740 1105.9141 16.6549 1148.8216 2.5992 1173.9413 49.5467 1210.4337 23.4857 1237.0466 45.4370 1259.6959 3.3984 1305.1903 11.1588 1356.4474 25.0974 1366.0515 9.0729 1433.8705 64.8577 1450.4414 144.3258 1470.0083 24.9467 1500.5240 18.0673 1602.7367 52.6030 1614.6528 4.0298 1632.9162 118.4660 1665.3153 10.5188 3230.0489 0.3724 3247.2263 1.1432 3247.5522 0.8676 3253.4844 1.1901 > 0.29824 GHz 0.08319 GHz 0.06505 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$