NIST 06161409193D 1 1.00000 -151.21712 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 -0.0280 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3369 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 M RAD 1 1 1 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 > 12071-23-7 > B3LYP/6-31G* > 0.9688 debye > -151.217116007 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 296.9199 60.3302 448.4687 6.0272 1117.8010 32.0684 2042.3672 81.6089 > 0.0000000 GHz 11.3806750 GHz 11.3806750 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$