NIST 06171422023D 1 1.00000 -1190.74800 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 15 15 0 0 0 0 0 0 0 0999 V2000 8.2908 3.4450 0.4356 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2397 2.9972 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2771 2.6920 -2.4337 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3436 1.8322 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 0.5730 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9586 2.0192 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0013 -0.4832 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0962 0.9578 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 -0.2936 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 3.8911 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9381 0.4270 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 2.9947 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 -1.4573 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 1.1123 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 -1.1206 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 7 2 0 7 9 1 0 9 8 2 0 8 6 1 0 4 6 2 0 2 10 1 0 5 11 1 0 6 12 1 0 7 13 1 0 8 14 1 0 9 15 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. > 2014-06-17 > 98-87-3 > B3LYP/6-31G* > 2.7143 debye > -1190.74800050 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 32.7541 0.3499 102.3337 0.1141 177.2060 3.3242 238.5873 1.3320 279.8716 0.2370 360.9690 1.5809 413.5711 0.3130 513.1586 1.4971 595.8214 24.9611 629.8656 0.7325 690.9057 109.0008 712.1215 125.8061 725.8040 27.0526 792.3880 1.9261 846.1419 38.9966 855.8069 0.1049 932.3727 0.0493 971.3167 0.0012 1001.9447 0.0038 1017.9730 0.9313 1058.1391 0.4437 1116.1102 3.9417 1195.6869 0.3466 1214.9745 6.8817 1221.8851 9.6036 1259.5706 31.8619 1282.2658 30.6086 1367.5111 2.1985 1376.3779 7.0682 1503.0688 13.9554 1544.8318 2.5901 1646.6590 0.5627 1662.2566 0.6704 3174.6660 1.5723 3184.0795 4.9798 3192.0887 1.3393 3201.8663 16.7865 3210.9018 21.5339 3217.8425 9.5649 > 2.02751 GHz 0.72380 GHz 0.66788 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$