NIST 08031215023D 1 1.00000-10595.29121 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 6.3062 1.8587 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8621 0.6174 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9173 2.0631 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4383 3.3418 -1.0651 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 -0.4888 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 0.4306 -0.2844 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 -0.2843 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6001 -1.8453 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 0.9570 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5266 -1.7674 0.2927 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2029 1.1438 -0.4880 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.3648 3.4197 -1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6882 -1.8461 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2464 -2.1502 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -2.6020 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2767 3.4204 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 4.1763 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7186 3.7246 -2.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 6 1 0 3 12 1 0 5 8 1 0 7 10 1 0 9 11 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 8 13 1 0 8 14 1 0 8 15 1 0 12 16 1 0 12 17 1 0 12 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. > 2012-08-03 > 23488-38-2 > B3LYP/6-31G* > 0.0000 debye > -10595.2912100 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 39.2408 0.0073 64.6392 0.4473 78.5645 0.0000 140.5385 0.0008 140.7156 1.2930 154.1975 0.0000 157.1439 0.3932 164.0959 0.0171 177.7796 1.0481 210.2990 0.0000 220.4275 0.0000 320.4405 0.0000 329.3280 3.5256 343.8934 0.0000 347.9995 5.9990 358.9361 0.0000 480.4313 0.0000 546.6096 26.2630 595.9255 0.0000 628.3619 0.0066 638.2427 0.0025 789.3040 0.0000 789.8031 14.5525 834.5774 0.0000 948.8038 0.0000 1028.9750 72.9996 1072.3045 0.0000 1077.1799 1.9529 1079.4838 0.0000 1110.2595 91.5239 1246.8720 0.0000 1286.1681 0.5246 1354.6545 87.4205 1418.2081 24.4495 1442.9232 0.0029 1442.9301 5.1810 1492.1319 0.0000 1517.8584 32.3543 1521.5927 0.0000 1522.4589 16.5648 1551.8529 0.0000 1587.8057 0.0000 3067.2220 0.0001 3067.3241 14.8842 3118.9641 0.0000 3119.1840 12.7710 3194.0203 10.3740 3194.0766 0.0000 > 0.41886 GHz 0.19101 GHz 0.13140 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$