NIST 06191410033D 1 1.00000 -396.06184 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 -0.0570 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 0.0000 0.0000 P 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. > 2014-06-19 > 17739-47-8 > B3LYP/6-31G* > 2.4579 debye > -396.061835618 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 1382.1013 1.3202 > 0.0000000 GHz 23.4614546 GHz 23.4614546 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$