NIST 07251215413D 1 1.00000 -585.32029 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 -0.6948 1.1577 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3778 -0.0571 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 -1.2343 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 -1.1498 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 0.1177 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 1.2588 0.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 -2.5794 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -3.0184 -1.4549 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6814 -3.5140 0.5719 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 -2.5343 0.2133 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 2.0960 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4571 -0.0825 -0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 -2.0435 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 0.2207 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 7 10 1 0 0 0 0 7 9 1 0 0 0 0 7 8 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 > 3796-24-5 > B3LYP/6-31G* > 0.1755 debye > -585.320292117 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.5626 0.0394 130.4036 2.2801 199.7540 2.1889 318.4922 2.8595 337.8194 1.6937 386.2458 0.1686 397.0934 1.9055 491.8469 0.8694 573.8748 0.0182 612.8292 13.1839 658.6473 35.7160 683.5540 0.9943 762.9874 0.3616 780.8805 1.3455 844.3727 36.7818 894.5785 0.2097 983.9606 1.2209 998.0990 0.0283 1012.3414 1.6607 1091.9302 53.3918 1108.8757 18.8470 1115.4930 5.4767 1195.9066 256.9958 1216.6192 184.3364 1255.5680 0.4576 1308.3825 7.8464 1344.5880 321.3334 1370.3433 8.8439 1456.9176 35.3867 1545.2358 2.7103 1628.6979 6.5395 1659.9434 4.8034 3182.2756 30.9424 3185.1772 9.6521 3228.5046 3.7655 3232.1174 3.0264 > 2.90764 GHz 0.93498 GHz 0.80895 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$