NIST 06201411183D 1 1.00000 -2031.49497 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 10 9 0 0 0 0 0 0 0 0999 V2000 1.8768 -2.3874 0.8137 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 -1.1244 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 0.0195 0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8401 0.2520 1.7472 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 0.9195 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9861 -0.0809 -0.3475 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 2.3808 0.7862 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 1.3748 -1.7731 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -0.7225 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 -1.5868 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 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. > 2014-06-20 > 16995-35-0 > B3LYP/6-31G* > 2.3039 debye > -2031.49497312 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.0418 0.1794 59.2816 6.5458 139.9706 1.8027 176.3909 0.6396 218.8696 2.3620 239.9959 0.7282 275.9245 0.0447 294.9492 0.9744 366.0789 1.7372 422.3578 5.8487 525.6470 15.7511 669.3596 113.8901 719.5223 135.1807 771.2391 68.3835 846.1215 96.1670 870.9395 1.9859 944.3971 6.9491 1074.1155 51.6595 1211.9102 6.1980 1341.2514 10.2433 1472.4967 17.1600 1868.6989 89.5524 3111.1543 10.9470 3171.8920 0.3202 > 1.45692 GHz 0.60930 GHz 0.58212 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$