NIST 07091509493D 1 1.00000 -122.24069 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 0.0298 0.0000 0.0000 Zr 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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. > 2015-07-09 > 12036-01-0 > B3LYP/GENECP > 2.7731 debye > -122.240685610 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 995.5488 141.7541 > 0.0000000 GHz 12.3238941 GHz 12.3238941 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$