NIST 06051415103D 1 1.00000 -109.52413 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 19.0255 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9199 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2014-06-05 > 7727-37-9 > B3LYP/6-31G* > 0.0000 debye > -109.524129072 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 2457.6566 0.0000 > 0.0000000 GHz 59.0616421 GHz 59.0616421 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$