NIST 08101209293D 1 1.00000 -1823.73597 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 15 0 0 0 0 0 0 0 0999 V2000 1.1914 0.5592 0.9879 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8305 0.4866 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 0.9378 0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 0.5948 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 0.8012 -0.9360 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 1.2898 1.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 2.2593 3.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6934 2.1513 4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 1.6634 1.5479 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.4214 3.4717 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 0.3352 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 0.5437 -2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 2.6682 3.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 2.4601 5.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 3 6 2 0 2 4 2 0 4 5 1 0 5 3 1 0 3 1 1 0 2 1 1 0 7 8 2 0 8 10 1 0 10 6 1 0 6 9 1 0 7 9 1 0 2 11 1 0 4 12 1 0 7 13 1 0 8 14 1 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. > 2012-08-10 > 31366-25-3 > B3LYP/6-31G* > 0.5617 debye > -1823.73596817 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 34.3882 4.1111 81.4099 2.3856 83.6398 0.0010 111.0428 0.6907 239.9766 0.0703 267.9994 0.5675 308.3463 0.0000 417.5702 0.0000 420.7559 0.0006 433.9351 13.6885 473.8183 0.0210 513.3921 2.0259 617.0530 0.0001 626.3487 0.9028 647.9340 18.7782 648.4405 99.0595 735.5450 10.3728 738.5296 0.0111 775.3093 24.6336 802.5426 50.5018 810.4659 0.0027 839.6603 2.9244 866.4482 0.0844 866.6804 0.1935 979.4842 0.0000 1132.9494 1.4793 1133.3918 0.2786 1297.3285 0.0217 1299.7393 0.0000 1598.1984 0.2905 1619.9674 21.7695 1642.3987 0.1347 3234.1696 0.5957 3234.4135 4.1112 3253.4976 1.1667 3253.6585 0.4842 > 1.59106 GHz 0.55083 GHz 0.41127 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$