NIST 06111419593D 1 1.00000 -1456.51412 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 23 0 0 0 0 0 0 0 0999 V2000 -1.4275 -0.3556 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 -0.0690 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 -0.7133 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 -1.6311 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 -1.9325 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 -1.2809 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 0.0714 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6136 -0.6337 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9937 -0.5047 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5612 0.3767 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7676 1.0979 -1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 0.9532 -1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -1.4521 1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 1.8433 -2.5500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5691 2.1833 -2.5338 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 0.6373 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 -0.5014 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -2.1170 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -2.6383 2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 -1.0647 1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6358 0.5189 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 12 14 1 0 11 15 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 13 1 0 13 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 8 7 1 0 7 1 1 0 6 1 1 0 1 2 2 0 3 2 1 0 2 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 9 20 1 0 10 21 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. > 2014-06-11 > R29382 > B3LYP/6-31G* > 2.3435 debye > -1456.51412351 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 64.5553 0.1425 103.8669 0.1907 145.1130 1.5945 151.9237 0.8220 205.9975 0.0218 248.6127 0.0638 307.1494 0.3096 307.4227 0.2046 341.7535 0.2999 367.7258 1.1912 443.5751 1.5251 466.3562 7.5995 494.8773 0.6121 521.1792 0.7402 570.1740 1.9055 580.1514 0.0023 607.0182 2.9035 620.4526 14.6702 664.4988 8.2197 721.3928 16.1866 725.7335 3.1422 761.0836 17.6022 770.6441 31.4185 817.6055 36.7213 819.0524 15.2845 870.8598 24.7610 871.7120 0.7795 938.4229 0.1241 942.7187 1.4421 950.3386 33.2793 981.4808 0.0058 1037.3362 6.7673 1055.0403 42.6671 1136.4299 4.4510 1144.4663 10.9060 1182.6501 19.9444 1190.1798 2.4601 1228.6909 8.1237 1259.5861 133.0345 1287.9535 23.4175 1328.6386 5.0425 1351.7073 13.7137 1389.3603 6.7657 1458.1025 57.3938 1465.1737 68.9491 1506.4663 60.7319 1526.7358 0.5356 1617.0941 2.9381 1640.2461 4.8207 1642.9884 3.3986 1680.0296 4.4460 3195.7909 3.0141 3210.3623 18.6212 3225.0601 0.1135 3227.8469 8.8224 3238.5390 6.0903 3238.7413 0.2832 > 1.03840 GHz 0.33248 GHz 0.25184 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$