NIST 06301514503D 1 1.00000 -997.77838 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 6 5 0 0 0 0 0 0 0 0999 V2000 2.2989 1.6966 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6324 0.7017 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 2.3980 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.9716 0.9607 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0732 0.0003 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0588 0.4268 1.0259 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 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. > 2015-06-30 > 156-60-5 > B3LYP/6-31G* > 0.0000 debye > -997.778384490 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 213.5004 0.5331 238.4014 3.7197 349.9240 0.0000 782.2376 0.0000 814.0826 134.9418 852.0366 0.0000 935.4049 63.5949 1242.7026 20.4600 1319.0368 0.0000 1666.7108 0.0000 3250.2272 13.7489 3253.2687 0.0000 > 52.96092 GHz 1.51149 GHz 1.46955 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$