NIST 08101209293D 1 1.00000 -1112.29431 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 0.9223 1.6884 0.0278 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 -0.0046 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8543 -1.0816 0.2591 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -0.4267 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2095 -1.8568 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -1.8755 0.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 0.3188 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -2.2302 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5556 -2.4883 0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 -2.7851 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 4 2 0 4 5 1 0 2 3 1 0 5 6 1 0 4 7 1 0 5 8 1 0 5 9 1 0 6 10 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. > 2012-08-10 > 3039-55-2 > B3LYP/6-31G* > 2.4885 debye > -1112.29431373 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 32.1143 7.4918 148.4029 3.2405 191.5207 24.3724 262.7269 100.0219 275.5226 6.8683 396.4498 0.8720 428.0021 10.7061 481.4037 4.2297 653.4911 42.9271 823.5424 13.7705 872.3676 132.8916 1005.3350 1.8815 1084.2080 98.8686 1090.1449 24.2167 1249.8100 49.5941 1257.2575 61.9568 1300.3815 11.9275 1467.7676 13.8918 1537.9449 1.0959 1711.2592 53.8756 2972.0104 49.2559 3039.2399 33.0899 3210.1136 2.1351 3759.4269 20.0251 > 3.27949 GHz 1.30936 GHz 0.95126 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$