NIST 07021518383D 1 1.00000 -1681.02528 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 25 0 0 0 0 0 0 0 0999 V2000 -1.0679 2.2093 2.4731 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 1.8181 1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 2.9516 0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4578 3.3013 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 2.5710 -1.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 2.9104 -2.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 1.4803 -2.8981 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 2.3478 -3.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 2.7938 -5.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 3.4823 -5.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2757 0.7026 1.1095 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 1.5497 2.6576 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 2.5966 0.3456 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 4.0560 1.6020 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 2.9943 -0.0051 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3841 4.6288 -0.5715 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 2.9448 -2.5624 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 1.2328 -1.4844 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 4.0618 -2.5253 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7763 3.2005 -3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3386 1.6291 -3.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 3.4801 -5.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 1.9238 -5.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 3.7955 -6.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 2.8115 -5.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 4.3752 -5.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 4 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 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 > R183790 > B3LYP/6-31G* > 2.6159 debye > -1681.02528344 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.3416 0.1955 28.1169 0.0235 32.5410 0.3589 55.0486 0.3789 61.8566 0.0408 77.8069 0.1042 89.8385 0.0508 127.6718 1.0594 147.1727 0.1660 154.8415 0.4752 198.4967 1.3505 214.8854 2.2829 229.6990 2.3242 244.5584 2.0503 249.0010 0.1560 270.7928 9.0178 276.1167 3.9589 286.5738 4.0776 307.7227 1.2193 311.7982 3.3850 325.6966 1.5569 350.0179 0.5385 371.1024 0.3370 378.7015 3.9967 409.6101 2.6907 446.1402 2.8543 471.0106 6.3833 528.1968 5.7020 543.6815 5.6748 576.7901 2.3009 609.9988 14.1226 652.5777 6.3847 665.3373 12.2331 702.6061 0.3740 721.1560 5.8003 740.0564 2.4481 744.4808 62.4032 832.3058 259.9876 868.4268 12.1561 910.6493 5.5932 961.4674 160.1438 1045.4057 0.3869 1086.1615 58.8486 1105.5490 3.2838 1121.1034 4.0645 1149.0678 117.7050 1176.2581 81.5742 1192.2510 107.0340 1209.0149 90.0239 1233.6748 68.9882 1263.0005 230.6637 1268.0641 270.9262 1271.9883 58.3694 1279.1973 24.3546 1294.6943 20.0092 1302.6268 84.5842 1345.9793 0.9624 1359.3722 66.6327 1392.7863 0.9296 1442.5126 1.0130 1483.8644 6.2030 1520.2352 0.9314 1528.7156 7.5158 1535.6913 5.5385 1789.0243 185.6698 3047.5227 25.5698 3059.7450 12.9982 3081.8557 12.9904 3095.4738 1.2930 3117.2492 33.5671 3122.6064 30.3786 3141.7329 10.8567 > 0.65924 GHz 0.19635 GHz 0.18714 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$