NIST 07251215363D 1 1.00000 -620.05492 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 2 0 0 0 0 0 0 0 0 0999 V2000 2.2888 -1.1797 -1.3033 Cs 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 1.3317 1.2001 K 0 0 0 0 0 0 0 0 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. > 2012-07-25 > 12331-81-6 > B3LYP/GENECP > 1.6833 debye > -620.054917596 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 63.4167 0.1067 > 0.0000000 GHz 0.8861387 GHz 0.8861387 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$