NIST 07021519263D 1 1.00000-10821.73562 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 -3.6126 -0.6431 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9933 -0.4979 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 0.3846 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 1.0904 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 0.9499 -1.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7897 0.0650 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9339 -0.7028 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.6222 0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -1.9335 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5756 -1.2856 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 -0.3621 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1608 -0.0682 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 -1.4612 1.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5677 2.2901 -2.6509 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.0693 -1.4705 1.6133 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -3.1580 2.8521 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.3266 -2.4380 1.6631 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.6362 0.5225 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 1.5100 -2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -0.4953 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 0.6391 -1.4947 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 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 19 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 > R171841 > B3LYP/6-31G* > 2.1303 debye > -10821.7356179 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 37.1781 0.0713 42.2860 0.1011 66.1121 0.0174 107.1987 0.0383 110.5766 0.3262 128.9091 0.0434 150.5808 0.8532 156.5724 0.0017 192.4101 0.0266 199.9596 0.0649 277.0287 0.4814 286.8475 2.3744 323.1373 1.4152 327.2731 0.0484 349.3514 0.1850 392.9495 0.0719 403.0643 7.3528 528.9810 0.0117 534.7117 7.2128 555.1551 0.6699 601.7722 0.8198 618.5399 0.2540 633.7807 6.2894 652.0387 11.1288 707.5801 10.4390 747.3856 49.9383 782.5813 2.1759 820.8909 5.5051 841.4580 24.1705 851.1385 19.2643 894.1826 17.9905 904.5435 14.8520 908.0984 106.5349 918.1982 4.9250 977.0352 0.0851 1070.5728 79.2893 1107.3801 12.0711 1145.4924 4.9643 1182.2196 10.0624 1217.9773 56.4990 1238.1946 68.1306 1266.1649 60.4373 1313.9104 18.9199 1355.1447 5.5102 1358.1413 5.2101 1439.3128 56.0600 1442.1577 28.0196 1479.7573 24.7181 1491.0223 132.1793 1608.8956 13.2215 1617.7663 54.5646 1633.3288 5.4387 1666.8363 31.3418 3212.9446 2.5955 3233.7365 0.0576 3235.7534 1.9774 3246.8998 2.5966 > 0.30236 GHz 0.08346 GHz 0.06541 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$