NIST 08031215073D 1 1.00000 -5456.69277 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 24 0 0 0 0 0 0 0 0999 V2000 0.0437 0.7762 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 2.3180 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 0.0498 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7603 2.8371 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 2.7277 -2.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 1.3079 -2.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 1.0134 -2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 0.8990 -4.8600 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8131 -0.2392 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 0.9591 -3.6871 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 0.5967 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7659 0.2921 -0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 2.7654 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 2.7260 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3525 -0.9152 0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 0.6272 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 3.8980 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 2.3237 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 3.0363 -3.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 3.4233 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 0.5864 -2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 1.8777 -1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -0.6482 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1784 -1.0117 -1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 2 4 1 0 9 3 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 7 9 1 0 7 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 9 24 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 > 34969-65-8 > B3LYP/6-31G* > 3.9200 debye > -5456.69277048 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.3741 0.0017 79.8833 0.1227 134.3221 0.0012 166.2636 0.0052 185.7518 0.7036 218.9975 1.0779 223.4011 0.7332 249.0162 0.9980 310.3383 1.3330 330.0384 0.9432 403.2500 5.7487 416.9022 1.2693 449.1778 3.8895 511.4461 1.4950 624.6117 21.1797 724.4121 1.2589 746.5552 12.4429 820.6060 4.8234 838.3703 5.7468 843.6736 0.2344 860.9206 4.6833 942.2845 8.7467 959.0263 9.2624 979.4884 2.9722 1023.1878 3.1334 1048.2489 5.2008 1084.6020 0.8865 1105.4104 0.3027 1112.0009 0.1991 1144.1065 0.2751 1152.0842 3.6475 1227.7680 12.9832 1248.3935 9.0655 1257.9811 6.1758 1276.8695 2.9990 1282.5471 0.9754 1304.6000 9.7881 1314.5494 4.6183 1349.6445 3.2400 1374.2717 0.9097 1386.7965 2.5093 1397.0479 0.3910 1398.8050 1.2462 1406.9073 3.7415 1408.0432 1.7097 1420.2335 8.2673 1512.4967 4.6239 1514.0563 0.1636 1521.8277 9.2837 1527.8780 6.3590 1529.3421 4.2809 1531.5295 9.3315 3025.2169 22.0020 3027.6155 8.8242 3033.3464 28.5698 3035.6132 2.7508 3052.9558 2.7157 3053.7578 3.8281 3065.7384 43.4565 3071.5895 9.2434 3074.3672 95.4194 3079.1915 75.2559 3113.0622 25.2710 3114.3777 0.1816 3133.5432 6.5333 3139.8210 12.9430 > 0.73022 GHz 0.51059 GHz 0.35640 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$