NIST 07251215353D 1 1.00000 -188.58094 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 3 2 0 0 0 0 0 0 0 0999 V2000 1.2410 -0.0837 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 -0.0837 -0.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 -0.0837 -0.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 2 0 0 0 0 M ISO 3 1 12 2 16 3 16 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 > B4000020 > B3LYP/6-31G* > 0.0000 debye > -188.580940206 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 640.2732 30.7120 640.2732 30.7120 1371.7294 0.0000 2435.7326 545.5971 > 0.0000000 GHz 11.5558751 GHz 11.5558751 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$