NIST 06221405483D 1 1.00000 -3441.17187 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 32 0 0 0 0 0 0 0 0999 V2000 7.4543 -0.6570 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3004 -1.0169 -1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3904 0.1968 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1495 -1.3388 -1.2689 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0638 -0.5184 -0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1465 -1.4562 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 0.2610 0.4700 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 1.5359 1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 0.6897 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.3341 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 0.8708 0.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 1.7468 -4.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 0.6473 -3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 1.1761 -2.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 0.1004 -1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -1.6780 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2957 0.4725 0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 -0.7825 -1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8428 -2.1400 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -1.8700 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3953 -1.4399 2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 2.5313 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1512 1.2697 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 1.6100 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0811 1.3553 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6108 1.3422 -5.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 2.5408 -4.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9735 2.2107 -4.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 -0.1476 -3.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 0.1784 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 1.9615 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 1.6261 -2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 6 7 1 0 7 8 1 0 7 11 1 0 7 15 1 0 10 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 1 2 1 0 2 5 2 0 5 10 1 0 10 9 2 0 9 3 1 0 1 3 2 0 2 16 1 0 3 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 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. > 2014-06-22 > U347105 > B3LYP/6-31G* > 3.0610 debye > -3441.17186648 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.2180 0.0366 32.6494 0.0205 36.3932 0.0944 51.5477 0.8146 70.4332 0.9861 85.7675 0.3104 110.3275 0.2297 116.4795 0.0864 131.4376 0.7641 142.5512 0.5052 168.7799 0.0746 195.0983 1.4647 207.5549 2.6087 213.4071 1.9118 232.0507 0.0378 248.0555 5.5403 294.6260 15.6386 300.2577 11.8642 336.3197 2.3912 377.2692 12.2698 388.8157 2.9931 431.3717 0.0744 439.9843 12.6083 521.5462 6.9860 564.4100 13.5731 640.0584 3.1429 650.5330 8.7283 705.0788 3.4310 721.0540 2.2339 741.6021 56.5562 770.5531 1.5775 782.6675 1.9220 789.5756 5.6956 824.7239 89.7392 837.5934 2.1293 857.9515 76.0323 870.0713 90.6644 899.4343 123.9640 908.1757 5.8661 916.4127 50.5498 935.3762 370.0844 968.2908 0.1311 972.0531 1.5037 1025.2278 31.3840 1052.8938 8.8012 1091.9069 22.9258 1113.2168 404.7400 1133.3697 6.3572 1147.1308 7.1305 1199.4854 1.3476 1203.4607 16.8536 1290.1169 0.1773 1294.8717 408.2896 1326.4871 6.3903 1334.3229 9.0780 1337.2685 46.5262 1341.7183 46.7055 1344.1069 9.5550 1353.1754 5.2110 1441.9432 0.7289 1448.0658 3.8096 1450.0822 16.8420 1488.6326 1.0260 1489.9283 0.6275 1495.6225 1.2194 1502.0539 8.0988 1521.6647 0.8925 1530.5992 6.6872 1535.2982 123.7917 1536.7848 130.8416 1550.6046 6.5922 1624.7502 3.4298 1649.4281 51.2201 3008.2692 33.0189 3043.8049 25.0215 3045.7487 20.7876 3051.6535 33.7701 3052.4945 6.9164 3055.2644 1.8349 3085.6924 9.5287 3112.4225 69.4143 3121.1938 33.5804 3126.2426 3.1647 3128.5957 10.0154 3129.5444 18.2929 3134.3744 10.3692 3210.7423 6.6257 3212.2588 0.0570 3225.3135 4.7608 3227.0409 1.5178 > 0.64918 GHz 0.15581 GHz 0.13558 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$