NIST 07251211073D 1 1.00000 -76.40895 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 0.8644 0.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7028 0.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 -0.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 1 1 0 M ISO 2 2 3 3 3 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 > 14940-65-9 > B3LYP/6-31G* > 2.0961 debye > -76.4089543219 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 1713.4019 75.7268 3729.8705 1.6916 3851.4531 19.3006 > 786.83298 GHz 432.74731 GHz 279.19429 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$