NIST 06111418263D 1 1.00000 -507.38516 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 33 33 0 0 0 0 0 0 0 0999 V2000 -9.7796 3.7341 -1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9755 2.7063 -1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7893 2.2280 -2.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2039 1.9820 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6190 0.5043 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7056 2.0785 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 1.1080 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6895 -0.2048 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 0.2848 -1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3744 1.3106 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -0.2298 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 2.3691 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3018 -0.6386 1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9150 4.0842 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3341 4.2640 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3104 2.8785 -3.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7270 2.2012 -3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1728 1.2087 -2.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4457 2.4947 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5666 -0.0004 -1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6619 0.4456 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3432 3.0092 -0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0287 -1.2329 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7358 0.3120 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2706 0.2283 -2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 0.5355 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 -0.7228 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1347 -1.0029 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 2.5365 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 3.0986 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6229 -1.5994 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 0.1090 2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2572 -0.7379 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 7 10 1 0 9 10 1 0 10 12 2 0 11 13 1 0 7 6 2 0 6 4 1 0 4 5 1 0 5 8 1 0 8 11 1 0 7 11 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 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. > 2014-06-11 > U151289 > B3LYP/6-31G* > 0.9065 debye > -507.385157618 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 42.2953 0.0676 49.4516 0.0323 90.6064 0.0572 95.4995 0.0564 149.4972 0.2613 163.0808 0.0995 181.6698 0.0819 193.0744 0.8104 207.4271 0.1406 232.7268 0.0411 276.6383 0.5902 300.3640 0.2192 316.6178 0.2663 331.0397 1.9149 372.9460 0.4730 412.5266 1.0575 469.8011 1.0041 494.6591 1.8049 513.1203 6.9532 550.3092 3.2635 560.6066 1.0121 623.2854 1.7413 642.1192 2.2601 732.4481 0.1387 747.9746 0.5470 773.5500 1.4414 808.4542 0.6745 851.1153 0.3052 897.5094 6.3775 910.4342 3.3034 924.1032 37.0464 925.7139 37.6067 938.4945 4.4388 959.5702 1.1827 988.7977 1.4172 1006.3825 1.2682 1029.9877 0.1551 1037.1231 4.0761 1042.5243 4.9065 1062.0186 3.6726 1081.0429 4.4450 1085.6588 1.0251 1090.2534 4.1815 1115.3590 5.2489 1148.3879 3.1230 1152.4019 2.8299 1234.4524 2.6760 1249.8869 2.2620 1296.7510 0.0939 1307.5315 9.6269 1322.7769 14.5663 1331.8249 3.6178 1343.7651 2.3276 1347.8192 3.3242 1381.6728 1.0495 1399.0037 1.1349 1400.9133 0.5698 1434.3427 5.4853 1439.7477 8.8222 1441.6173 2.1339 1464.8841 0.6714 1476.3450 0.6317 1508.0316 4.2253 1508.7595 7.3167 1517.7022 2.1175 1522.2988 4.4037 1525.0217 5.5824 1526.4291 5.6747 1527.7437 8.0005 1532.0147 0.8040 1698.8860 4.8258 1715.1032 9.6778 1731.4517 16.1004 2986.7890 19.1596 2993.2457 17.6678 3025.0934 27.2145 3038.4517 9.3618 3039.8124 24.6111 3045.0524 29.3173 3049.0513 37.4518 3070.3523 51.1629 3085.3026 52.6240 3089.6111 24.0747 3090.3516 16.3062 3111.9478 35.0701 3126.8342 41.9861 3127.6722 26.3468 3130.1708 18.5538 3153.8689 13.6435 3159.0129 9.8919 3163.5787 15.3387 3229.1061 22.9458 3241.0185 17.8565 > 1.17115 GHz 0.51807 GHz 0.42716 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$