NIST 07091509583D 1 1.00000 -801.46490 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 2 1 0 0 0 0 0 0 0 0999 V2000 0.0194 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M RAD 1 1 1 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-07-09 > 17167-55-4 > B3LYP/6-31G* > 0.4264 debye > -801.464896983 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 542.1025 65.5462 > 0.0000000 GHz 7.3559106 GHz 7.3559106 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$