NIST 07251211053D 1 1.00000 -282.32783 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 5 3 0 0 0 0 0 0 0 0999 V2000 0.1235 1.2078 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 1.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 2.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 1.2078 -0.0000 Tl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 M CHG 4 2 1 3 -1 4 -1 5 1 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 > 10102-45-1 > B3LYP/GENECP > 5.5349 debye > -282.327833761 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 92.4503 0.1324 165.2434 2.8271 202.9780 57.6345 697.4829 0.8970 733.0941 19.0761 810.9957 13.3998 1048.1444 51.1441 1288.1899 197.6813 1628.0214 529.7030 > 13.12338 GHz 1.19715 GHz 1.09708 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$