NIST 07061515523D 1 1.00000 -104.22722 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 0.0418 0.0246 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 1.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 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. > 2015-07-06 > 506-78-5 > B3LYP/GENECP > 3.4591 debye > -104.227219233 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 320.9782 1.3674 471.5539 0.0964 2300.9442 12.7239 > ************ GHz 3.15041 GHz 3.15041 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$