NIST 07021518463D 1 1.00000 -1656.84328 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 25 0 0 0 0 0 0 0 0999 V2000 -5.1925 -0.2154 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5107 -0.0316 0.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2485 -0.3652 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4387 -0.7535 -2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -0.6519 -1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 1.6512 1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 2.3374 0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 1.7884 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3644 0.4303 1.3613 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1829 0.5849 2.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.3527 3.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4655 2.1800 2.2644 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 1.9389 0.6499 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1891 0.1132 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3184 -0.2790 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7518 -1.0744 -3.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -0.8746 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 3.1936 0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 2.0974 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 -0.2612 3.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -1.3944 3.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 -0.1282 4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 -0.4414 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5666 -0.1140 1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 3 15 1 0 0 0 0 4 3 2 0 0 0 0 4 16 1 0 0 0 0 5 4 1 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 10 2 0 0 0 0 7 6 1 0 0 0 0 7 18 1 0 0 0 0 8 7 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 10 9 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 1 1 0 0 0 0 14 23 1 0 0 0 0 14 24 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. > 2015-07-02 > R180444 > B3LYP/6-31G* > 2.5020 debye > -1656.84328047 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.8378 0.1018 24.8937 0.2379 30.8653 0.0802 59.0298 0.1534 83.0752 0.1252 109.7663 0.2714 114.1679 1.0202 147.8372 1.3246 207.0836 2.9435 238.5077 1.6710 279.2363 2.8190 303.8475 4.1161 329.7998 2.2709 356.0332 1.6420 416.3674 6.6928 470.7208 2.9922 483.4492 2.0431 584.7261 0.7641 611.9879 5.2086 622.9701 14.8692 631.3231 4.3474 692.1842 1.2585 694.7703 11.8909 720.0268 30.8418 736.4711 9.6947 754.2165 33.3866 789.9343 0.6234 820.3093 11.3896 862.0976 19.9586 871.4831 0.2864 888.4766 3.8952 892.1505 0.3066 903.1168 3.8760 962.2965 14.4931 1034.5281 3.3641 1044.1477 24.5454 1068.8399 1.7726 1110.1819 9.3961 1124.8149 3.4785 1144.9182 2.8828 1174.4912 3.6126 1190.4561 15.9070 1194.1561 6.1229 1253.3588 10.4066 1282.8488 17.8201 1294.0876 11.1518 1379.8003 2.2465 1438.7141 0.1648 1440.8059 0.6921 1492.2122 6.2526 1494.1304 18.3954 1513.7769 7.0132 1524.9650 1.7728 1539.8471 16.5152 1573.9424 4.0683 1641.2592 0.5027 3048.2739 26.9896 3093.3951 6.4678 3101.3435 11.5394 3142.0785 5.5446 3154.0832 2.0537 3238.8522 1.0706 3265.0734 4.7343 3271.8887 0.5653 3276.5113 1.2706 3303.4962 1.3248 > 1.02526 GHz 0.21314 GHz 0.20433 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$