NIST 06171416453D 1 1.00000 -164.13854 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 0.0000 0.0000 1.1842 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 -1.1842 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 3 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. > 2014-06-17 > 12596-60-0 > B3LYP/6-31G* > 0.0000 debye > -164.138542654 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 489.4816 13.4431 593.4605 6.6835 1379.5316 0.0000 1751.8679 187.9218 > 0.0000000 GHz 12.8670186 GHz 12.8670186 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$