NIST 07061516343D 1 1.00000 -1063.50024 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 13 12 0 0 0 0 0 0 0 0999 V2000 0.9583 -0.1268 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -0.0387 1.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -0.9816 2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 -2.2270 1.7307 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 -0.7756 2.4177 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.8433 3.3302 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6135 1.0565 -0.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0516 2.2670 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 2.6772 0.8673 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 2.2093 0.2818 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 3.1432 -1.1375 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 -1.0722 -0.6218 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.4282 -0.2417 F 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 12 1 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 3 5 1 0 0 0 0 3 4 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 8 10 1 0 0 0 0 8 9 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. > 2015-07-06 > 53772-78-4 > B3LYP/6-31G* > 0.1647 debye > -1063.50023716 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 27.3425 0.0012 35.6580 0.0017 68.8473 0.0033 101.7490 0.0696 150.6410 0.2498 185.1301 0.6632 290.3883 0.4132 316.3034 0.0165 347.3205 0.1776 359.8307 0.1488 401.7725 0.0999 465.6299 0.8735 501.4254 2.1315 527.3787 3.1186 553.7031 1.7072 604.1133 2.1898 614.4138 6.7648 631.3106 5.6536 680.6140 36.1990 721.8315 15.2336 765.0699 3.1115 839.2777 2.6241 913.3878 49.5477 998.2550 28.8331 1130.7406 892.3807 1186.3570 187.3890 1234.1973 57.6139 1256.8653 152.7865 1264.4623 364.8321 1281.7122 481.0013 1285.6685 683.8240 1342.0955 467.5976 1344.3209 350.6993 > 1.40266 GHz 0.54614 GHz 0.49234 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$