NIST 07251215373D 1 1.00000 -684.88957 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 0.9438 -0.0294 0.0732 B 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 1.0075 0.5362 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -1.0663 -0.3898 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 -0.0294 0.0731 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 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 > 14720-30-0 > B3LYP/6-31G* > 0.1872 debye > -684.889572248 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 343.1526 3.3975 424.0467 4.5849 595.7648 50.5764 690.2653 41.7788 1243.4304 471.0999 1471.4806 313.7992 > 10.31462 GHz 4.63444 GHz 3.19769 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$