NIST 06301516263D 1 1.00000 -78.58746 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 6 5 0 0 0 0 0 0 0 0999 V2000 0.5977 0.9316 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 0.0155 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 1.8613 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 0.9161 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 -0.0136 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5114 1.8322 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 4 5 1 0 0 0 0 4 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. > 2015-06-30 > 74-85-1 > B3LYP/6-31G* > 0.0002 debye > -78.5874587270 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 835.4987 0.7326 956.3718 0.0000 976.1051 82.9961 1070.1801 0.0001 1248.1780 0.0000 1396.0702 0.0000 1494.5476 5.2339 1720.8305 0.0000 3151.7359 18.7720 3167.2023 0.0000 3222.0563 0.0000 3247.6145 33.5928 > 146.93474 GHz 30.04638 GHz 24.94535 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$