NIST 06161409133D 1 1.00000 -398.74003 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 -0.0051 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 M RAD 1 1 2 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2014-06-16 > 13940-21-1 > B3LYP/6-31G* > 1.0600 debye > -398.740027881 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 2676.2618 18.9421 > 0.0000000 GHz 281.6564365 GHz 281.6564365 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$