NIST 06251403363D 1 1.00000 -994.90963 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 19 0 0 0 0 0 0 0 0999 V2000 6.9481 1.7622 -0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.4320 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 2.1613 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 2.6636 -0.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0994 -0.4900 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6996 -0.0619 0.8538 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 1.2529 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 3.4892 -0.9753 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 -0.0836 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 -1.0588 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 4.0112 -1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6434 -0.7982 -0.8938 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 3.5147 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 -1.5206 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 1.5273 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 -2.0891 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 5.0678 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1429 3.5051 -2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 3.9084 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 6 1 0 3 8 1 0 8 11 1 0 9 10 1 0 10 12 2 0 1 2 1 0 2 5 2 0 5 9 1 0 9 7 2 0 7 3 1 0 1 3 2 0 4 13 1 0 5 14 1 0 7 15 1 0 10 16 1 0 11 17 1 0 11 18 1 0 11 19 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. > 2014-06-25 > 19463-48-0 > B3LYP/6-31G* > 3.1191 debye > -994.909633986 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 67.0411 3.8751 100.8782 3.1497 135.2489 3.7705 151.0603 8.7897 194.6442 0.0244 196.8206 0.5620 239.3223 4.0770 265.4822 4.7356 270.8623 1.6681 347.8836 1.5751 378.1773 3.7631 381.0785 0.6200 420.8877 1.4850 509.9434 110.3422 541.3346 0.2171 547.5447 4.7370 591.4449 3.9429 610.1116 6.5844 696.3677 72.2820 707.0986 0.5311 813.8191 12.0048 869.2674 41.3792 872.0700 22.6310 894.8359 12.6800 995.1480 5.9925 1026.2335 0.3256 1086.6148 111.5872 1173.8235 92.8127 1185.6189 0.7600 1212.1589 173.9005 1224.5017 17.1703 1283.7553 55.1298 1314.7689 67.7614 1330.4802 251.5671 1416.1563 91.3977 1450.7993 61.4147 1473.6675 160.1353 1509.6135 6.5770 1518.5118 7.4835 1530.7019 82.6583 1545.7722 68.4095 1641.8668 23.3213 1647.7208 102.8374 1790.0079 271.2813 2918.4396 133.8372 3044.1736 40.2181 3110.4495 29.2969 3171.4758 18.0525 3211.4992 0.5903 3238.8262 3.6273 3680.3229 126.1797 > 0.92695 GHz 0.67824 GHz 0.39265 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$