NIST 06101408323D 1 1.00000 -2149.24702 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 6.3419 1.9377 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 2.0800 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 1.0186 -1.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4994 -0.2091 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 -0.3235 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 0.7394 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2277 0.6148 0.8966 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 -1.8139 0.9409 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6367 1.2330 -1.8953 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 3.6051 -1.8886 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 -1.3550 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 -1.3207 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 2.7583 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9148 -1.3198 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0558 -2.3002 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -2.1644 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 -1.3909 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 -0.3966 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 5 8 1 0 3 9 1 0 2 10 1 0 4 11 1 0 11 12 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 1 13 1 0 11 14 1 0 11 15 1 0 12 16 1 0 12 17 1 0 12 18 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. > 2014-06-10 > R13339 > B3LYP/6-31G* > 0.8465 debye > -2149.24701634 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 64.7367 0.0128 74.4630 0.5281 82.0349 0.1290 135.3250 0.2625 196.7510 0.2557 207.6191 0.0361 213.2826 0.2462 227.1443 0.0327 238.5583 0.2026 319.8322 0.0117 335.8277 1.4099 352.9148 0.6448 354.1171 0.0006 366.4818 1.3114 459.6838 7.2294 563.6411 5.2582 565.8501 2.1701 606.3512 0.0624 606.6115 1.4640 652.3748 59.1448 733.3427 0.2436 810.2914 20.7958 863.3617 0.6501 872.8421 16.0230 875.2841 19.4022 995.9291 13.8052 1085.8652 11.5162 1102.4108 30.3006 1102.9728 51.3612 1206.2003 33.0213 1226.4605 26.3865 1278.4520 1.9376 1325.4832 5.4520 1371.9240 11.4480 1389.5105 18.9660 1438.5396 2.5893 1441.3605 127.0267 1525.8397 1.3749 1527.8587 5.8406 1538.6810 6.0115 1589.1177 5.0630 1595.3967 12.6175 3060.3343 26.1473 3097.1100 8.1209 3126.6196 1.8864 3131.0775 30.9462 3146.4172 17.9460 3247.0579 1.3510 > 0.67460 GHz 0.44918 GHz 0.27721 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$