NIST 07251211073D 1 1.00000 -1740.06576 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 0.1122 0.0000 0.0000 Cu 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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. > 2012-07-25 > 13478-41-6 > B3LYP/6-31G* > 3.7752 debye > -1740.06575959 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 769.2205 47.8434 > 0.0000000 GHz 12.4836956 GHz 12.4836956 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$