NIST 06181211503D 1 1.00000 -31.61153 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 1.9727 -1.0815 1.0253 Li 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 0.9378 -1.0044 Rb 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. > 2012-06-18 > 12031-70-8 > B3LYP/GENECP > 3.0817 debye > -31.6115321345 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 186.3063 2.8025 > 0.0000000 GHz 6.2937648 GHz 6.2937648 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$