NIST 06181211523D 1 1.00000 -222.68656 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 0.9145 -0.0421 -0.0661 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3104 0.8714 -0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 0.0603 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 -0.0737 -0.0483 N 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 3 4 3 0 0 0 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. > 2012-06-18 > 4343-68-4 > B3LYP/6-31G* > 0.9929 debye > -222.686557175 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 217.3502 8.2001 271.1289 13.2507 629.2132 16.5798 825.4341 51.6749 1611.8646 95.2325 2275.2440 28.7231 > 87.64637 GHz 5.29663 GHz 4.99478 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$