NIST 07151406233D 1 1.00000 -3376.28726 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 6.3120 1.8617 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 0.6220 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 2.0683 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 3.3101 -1.2094 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 -0.4370 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -0.2419 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 -1.8002 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 1.0067 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8121 -2.7309 0.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3137 -2.0255 0.1951 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9398 0.4808 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 3.0448 -0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 -1.0740 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 1.1615 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 5 7 1 0 7 9 2 0 7 10 1 0 1 2 1 0 2 5 2 0 5 6 1 0 6 8 2 0 8 3 1 0 1 3 2 0 2 11 1 0 3 12 1 0 6 13 1 0 8 14 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. > 2014-07-15 > 1711-09-7 > B3LYP/6-31G* > 3.3301 debye > -3376.28726058 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 40.9969 0.8524 112.9603 1.1636 137.8932 0.5039 191.1876 0.3853 266.9326 0.0244 300.8512 3.0155 329.7155 15.6711 425.6396 14.6620 432.4574 0.1156 487.5864 5.4961 509.6054 3.0422 661.1787 26.2857 670.9851 0.4132 708.8321 31.4695 733.7642 130.0608 820.3947 19.0517 906.8914 216.2286 937.0195 6.3803 957.8086 0.9418 1004.5950 0.3940 1013.3723 3.4081 1100.3464 15.8089 1135.0791 2.6909 1202.4038 72.1806 1216.4261 190.4027 1322.0900 2.1264 1360.3981 6.0846 1460.3337 25.3680 1513.4308 15.2467 1620.9989 42.5365 1641.7640 5.1768 1863.8892 284.4349 3207.2690 5.7817 3229.7783 1.4165 3238.5358 2.8481 3256.6204 2.2039 > 1.42772 GHz 0.41466 GHz 0.32133 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$