NIST 06161409263D 1 1.00000 -280.21679 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 4 3 0 0 0 0 0 0 0 0999 V2000 0.8150 0.4742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 -0.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 1.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 2 0 M RAD 1 3 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. > 2014-06-16 > 12033-49-7 > B3LYP/6-31G* > 0.0338 debye > -280.216792328 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 154.2623 12.5698 271.1941 19.1298 789.6563 15.6954 1110.3051 2.7391 1130.8598 0.0001 1204.5233 0.5578 > 13.85373 GHz 13.59308 GHz 6.86108 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$