NIST 06301523143D 1 1.00000 -314.47906 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 23 0 0 0 0 0 0 0 0999 V2000 3.2596 1.6228 2.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 2.7940 2.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 2.5251 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 4.0228 2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 0.9678 2.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 1.5923 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6785 1.8977 2.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 1.2163 1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4946 0.8488 3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5656 1.9570 3.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7854 2.0854 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 3.4798 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 4.2296 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 4.8686 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 0.5855 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 0.0859 2.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.4645 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 0.5969 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0252 2.0041 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9804 2.2676 3.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 2.7855 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7212 1.9018 1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2113 0.3451 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6097 0.8658 0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 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. > 2015-06-30 > 1632-16-2 > B3LYP/6-31G* > 0.4388 debye > -314.479059098 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 28.0386 0.0427 76.8577 0.0199 88.7023 0.0551 108.9354 0.0800 211.8859 0.0172 225.1579 0.2948 248.8506 0.0434 279.3727 0.0880 285.3363 0.2118 398.0487 0.8010 435.2052 1.5677 477.3829 0.5922 607.7734 6.5069 724.0725 0.2277 738.0340 1.2617 777.0589 1.8239 807.5279 2.0001 839.9089 0.9436 880.3675 1.0631 926.3899 37.6844 946.4780 2.5952 960.3312 4.0131 1013.4873 0.7401 1032.5515 0.1114 1066.2324 2.4584 1074.0575 0.8790 1102.7239 0.7371 1130.2583 2.0340 1147.0533 1.3874 1245.3947 0.0281 1278.0631 0.7314 1289.4289 2.6617 1324.3302 6.1213 1343.5782 0.1754 1354.4340 1.7245 1373.3236 3.0043 1382.1760 2.2335 1421.7091 0.7889 1435.6916 1.8564 1442.7389 1.0872 1477.5556 0.8306 1509.7712 6.3006 1512.1115 6.1104 1520.5335 0.4933 1527.6274 1.7962 1530.6296 6.1357 1531.9482 3.9518 1539.1681 3.7255 1542.2876 2.5622 1726.6297 12.1887 3021.4850 3.1822 3027.2055 42.1866 3030.5728 10.8727 3034.6760 24.0614 3041.0425 50.2352 3049.9017 24.5021 3052.4650 17.3518 3068.5386 20.5361 3075.2604 35.5770 3078.2746 32.0061 3105.4913 72.3272 3110.4691 40.6141 3117.1805 39.8029 3121.0824 41.7575 3151.9452 11.7477 3226.9525 22.9208 > 3.01033 GHz 1.00848 GHz 0.90375 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$