NIST 06281418543D 1 1.00000 -391.86425 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 28 27 0 0 0 0 0 0 0 0999 V2000 1.0588 1.4392 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 0.6765 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 0.8032 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 -0.4477 1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -1.2584 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6752 -1.1484 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9852 -2.3847 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4117 -2.4723 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8116 -1.3841 -1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4248 -0.1117 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 1.2962 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2276 2.2412 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -0.1218 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9226 1.6600 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 1.0289 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -0.7041 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2377 -2.1248 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4606 -1.0530 1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 -0.2403 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2609 -2.4266 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 -3.2856 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5026 -3.4531 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1378 -2.4802 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5432 -1.8129 -2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9367 -1.1216 -2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7107 0.5946 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7357 0.4074 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3289 -0.3490 -0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 5 6 1 0 1 2 2 0 6 7 1 0 3 4 1 0 7 8 1 0 8 9 1 0 4 5 2 0 9 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 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. > 2014-06-28 > R249568 > B3LYP/6-31G* > 0.4983 debye > -391.864251566 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.2444 0.0179 29.8355 0.0035 50.1137 0.0034 73.5364 0.0048 95.9205 0.0178 110.0264 0.0155 177.7709 0.0304 222.2454 0.1085 237.1267 0.0075 288.4899 0.3564 295.8869 0.0783 360.1213 0.2643 422.0419 1.1322 449.1380 0.2964 513.8257 1.1304 576.0273 11.1265 656.6682 8.1893 732.8844 19.3265 757.9449 5.0708 787.3047 3.3426 824.8579 3.4457 873.8093 3.8918 909.4675 7.6464 937.7107 35.2372 949.9714 1.0782 961.9338 4.0509 982.9389 0.9275 1002.0618 1.9854 1018.9002 0.2535 1035.8397 1.2997 1038.3521 10.6788 1065.2609 3.6972 1099.0711 0.0192 1126.0785 2.6014 1131.2897 0.9114 1171.0247 0.4816 1227.2364 0.8759 1256.5198 2.8580 1272.5096 1.1376 1308.4259 2.7230 1311.9772 1.1852 1321.5894 8.4772 1336.4064 0.6313 1340.4034 0.8223 1347.6059 1.0108 1392.1174 9.0263 1401.2434 0.7235 1414.6269 3.0563 1442.6191 9.2538 1448.1382 9.2064 1472.5748 0.9260 1500.4140 1.9363 1509.9125 2.7740 1515.6292 0.7583 1520.6111 2.8138 1527.0388 5.1539 1532.2864 4.3033 1539.3907 2.2826 1725.2671 6.7035 1742.5223 5.2044 3009.6580 15.2832 3018.2535 24.5014 3024.2593 25.5751 3025.5570 22.4839 3029.1121 26.1907 3046.4992 18.1104 3052.7479 23.1512 3062.1727 53.1420 3064.7280 72.1892 3072.0238 18.1345 3103.7122 21.3964 3106.4624 54.9909 3125.8193 25.2297 3129.4848 45.1660 3146.6196 21.6080 3155.0728 44.8164 3157.2603 6.5540 3233.8483 21.7256 > 2.05043 GHz 0.47653 GHz 0.43170 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$