NIST 08031215023D 1 1.00000 -1116.96393 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 16 0 0 0 0 0 0 0 0999 V2000 10.0074 20.1050 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5228 19.9905 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0189 18.5465 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 20.6195 -1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3936 20.8704 1.3157 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4138 21.5144 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3669 17.4227 -1.1887 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7773 19.6617 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5290 19.4658 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 18.1369 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1050 18.4981 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0838 20.4930 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7783 21.6876 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5033 20.1341 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3436 21.4762 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5178 21.9504 -0.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8884 22.1888 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 7 1 0 1 8 1 0 1 9 1 0 3 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 4 14 1 0 6 15 1 0 6 16 1 0 6 17 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 > 23010-04-0 > B3LYP/6-31G* > 0.9176 debye > -1116.96392840 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 98.4493 0.9365 118.3716 2.2244 178.1214 4.3151 211.0588 2.2728 243.2456 0.8003 274.0984 0.0954 281.4404 0.1337 333.5698 1.1547 355.6759 3.7044 391.7623 0.1140 491.0488 5.9686 609.3807 42.3776 708.4512 61.0186 779.1437 3.6452 816.2081 10.9239 899.3798 2.6567 965.5833 3.3974 1026.2212 3.2351 1036.2934 12.6554 1086.7841 2.0273 1151.1988 8.8968 1154.3560 21.0336 1226.1794 7.1556 1296.9863 4.2175 1326.9851 18.1358 1343.5207 0.2405 1400.2106 1.2556 1442.0193 5.2497 1443.3412 8.5918 1504.2117 4.6271 1506.8595 1.7089 1519.3459 7.4659 1526.0881 8.5431 1535.4204 8.0015 1541.1400 0.4025 3053.0669 13.9682 3061.2487 20.9120 3071.0207 6.5471 3090.3613 6.2304 3124.6032 29.1023 3125.2161 9.7674 3138.2336 15.7329 3139.7614 17.4468 3161.3074 12.1383 3190.8172 4.1975 > 2.29124 GHz 1.12176 GHz 0.92499 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$