NIST 06181211513D 1 1.00000 -697.90453 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 4 3 0 0 0 0 0 0 0 0999 V2000 0.9747 0.0843 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 0.5079 1.2314 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 0.7780 -0.9321 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7317 0.0044 0.0699 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 M RAD 1 1 2 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-06-18 > 1691-89-0 > B3LYP/6-31G* > 0.1316 debye > -697.904533189 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 355.5526 0.5844 405.9887 0.7259 589.1069 5.1124 748.3415 99.0589 1172.9374 321.9754 1261.2880 261.2972 > 10.79902 GHz 4.83662 GHz 3.41466 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$