NIST 08031215023D 1 1.00000 -168.00116 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 0.0160 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 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. > 2012-08-03 > 22400-26-6 > B3LYP/6-31G* > 0.7072 debye > -168.001164231 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 480.4124 37.0346 552.6913 14.5915 1300.0707 8.1323 1998.7473 51.8921 > 0.0000000 GHz 11.5846851 GHz 11.5846851 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$