NIST 07251215363D 1 1.00000 -2798.69009 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 1.4196 -0.3613 -0.2413 Se 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.5614 1.3338 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 1.1668 -0.6740 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1135 -1.0601 -0.8451 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7463 0.5505 0.5423 F 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 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 > 13465-66-2 > B3LYP/6-31G* > 1.7355 debye > -2798.69009022 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 153.9938 0.7416 230.8940 11.2975 346.6069 3.9143 348.0442 20.8419 382.7468 10.1466 597.2116 0.4185 651.4721 280.3557 741.4527 88.0005 744.3580 48.9840 > 5.14548 GHz 3.32101 GHz 2.69852 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$