NIST 08031215023D 1 1.00000 -349.02582 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 5 4 0 0 0 0 0 0 0 0999 V2000 20.0152 0.0546 -0.0254 F 0 0 0 0 0 0 0 0 0 0 0 0 20.0105 1.3843 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2654 1.8243 -0.0251 F 0 0 0 0 0 0 0 0 0 0 0 0 19.3891 1.8238 -1.1085 F 0 0 0 0 0 0 0 0 0 0 0 0 18.9633 2.1250 1.7948 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 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. > 2012-08-03 > 2314-97-8 > B3LYP/GENECP > 0.0767 debye > -349.025821748 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 259.1831 2.3859 261.9063 0.2093 263.3374 0.2022 528.7885 2.3627 529.0980 2.3429 733.7461 86.9129 1057.0818 631.9796 1256.8115 302.3315 1257.3821 302.3879 > 5.66648 GHz 1.45564 GHz 1.45560 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$