NIST 06191410223D 1 1.00000 -129.88816 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 -0.0135 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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. > 2014-06-19 > 10102-43-9 > B3LYP/6-31G* > 0.0886 debye > -129.888156142 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 1991.0205 31.4343 > 0.0000000 GHz 50.4142813 GHz 50.4142813 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$