NIST 06281210073D 1 1.00000 -190.64191 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 6 6 0 0 0 0 0 0 0 0999 V2000 0.6698 -0.2989 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 -0.8902 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -1.7106 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4078 0.6543 0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 -0.8558 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 -2.7491 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 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. > 2012-06-28 > 2961-80-0 > B3LYP/6-31G* > 4.0116 debye > -190.641912242 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 469.3529 10.4074 524.2366 0.2131 759.4147 55.6069 822.2186 36.5138 860.6430 0.1094 979.7787 0.0000 1054.0590 3.9916 1159.8761 14.6273 1581.5799 11.8346 1964.3148 564.1369 3209.1900 4.0522 3242.2097 0.1235 > 32.12989 GHz 7.76215 GHz 6.25180 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$