NIST 07011522393D 1 1.00000 -1151.75905 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 44 52 0 0 0 0 0 0 0 0999 V2000 1.7973 6.0566 5.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 6.0401 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 5.0204 6.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 7.1136 4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 4.9771 4.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 7.0853 3.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4071 7.0504 2.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 8.0987 3.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4937 3.9807 6.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 3.9529 5.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 2.9214 7.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 2.8860 5.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 4.9429 3.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 1.9101 7.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 1.8546 6.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 0.8153 6.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7884 2.8520 4.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 3.8853 3.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3354 5.9722 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 5.9208 1.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 8.0279 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2131 3.8450 2.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 4.8523 2.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1350 2.7531 3.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7621 6.9442 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 7.9759 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7223 1.7868 4.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9006 1.7743 4.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4628 0.7823 5.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 8.1130 4.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 5.0460 6.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 7.1221 5.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 8.9061 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3922 2.9501 7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 1.1178 8.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 0.0286 7.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 8.8579 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 4.8262 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 2.7302 2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 6.9012 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 8.7602 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6070 0.9570 4.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1762 -0.0303 5.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 8.9230 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 6 2 0 0 0 0 3 1 1 0 0 0 0 3 31 1 0 0 0 0 4 30 1 0 0 0 0 4 32 1 0 0 0 0 5 2 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 19 1 0 0 0 0 7 21 2 0 0 0 0 8 6 1 0 0 0 0 8 33 1 0 0 0 0 9 3 2 0 0 0 0 9 10 1 0 0 0 0 10 5 2 0 0 0 0 11 9 1 0 0 0 0 11 34 1 0 0 0 0 12 10 1 0 0 0 0 13 19 2 0 0 0 0 14 11 2 0 0 0 0 14 35 1 0 0 0 0 15 12 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 16 36 1 0 0 0 0 17 12 2 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 21 26 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 23 22 1 0 0 0 0 23 38 1 0 0 0 0 24 28 2 0 0 0 0 24 39 1 0 0 0 0 25 20 1 0 0 0 0 25 40 1 0 0 0 0 26 25 2 0 0 0 0 26 41 1 0 0 0 0 27 17 1 0 0 0 0 27 29 2 0 0 0 0 28 27 1 0 0 0 0 28 42 1 0 0 0 0 29 16 1 0 0 0 0 29 43 1 0 0 0 0 30 8 2 0 0 0 0 30 44 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. > 2015-07-01 > 190-31-8 > B3LYP/6-31G* > 0.0815 debye > -1151.75904971 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 44.7437 0.0002 73.3621 0.3065 108.0997 2.5205 117.6245 0.0000 145.4761 0.4277 202.2135 0.0333 221.7199 0.0000 272.3105 0.0200 275.2666 0.0000 300.1800 4.6992 305.1940 0.2506 316.1254 0.0356 332.8719 0.0004 342.6698 1.4791 345.0868 0.0041 345.8509 0.0582 418.5384 0.1151 423.1951 0.4718 433.8448 1.6399 453.1893 2.2424 483.7307 0.0000 497.3959 0.0763 516.0776 0.0001 525.5041 0.3461 533.1862 0.1429 538.4515 0.0057 545.8290 0.3423 549.5617 0.8182 560.7653 7.6704 596.0807 0.0000 626.0869 0.0901 629.5822 1.1974 630.1259 4.3127 640.1018 0.3019 642.3280 0.0000 652.4452 0.0000 670.5290 0.8794 701.3487 0.0002 714.4884 2.6342 716.1944 1.0672 752.4628 10.2459 752.7231 0.0031 772.3959 22.8476 774.2974 0.9613 785.2201 0.0000 788.5292 11.7808 795.1201 1.2415 805.4460 15.6702 815.2303 0.0001 831.6397 0.0000 837.1639 0.5837 859.3155 8.6898 879.1888 0.0007 887.9405 82.8888 902.5063 0.0016 906.0764 0.1366 909.6255 22.5589 915.8785 0.2421 933.8534 8.7141 949.2774 0.0000 967.6340 0.0010 971.5709 0.8966 973.2765 0.5711 977.8357 0.0003 981.9475 0.7423 1029.4951 0.3192 1070.6338 0.3964 1099.8303 0.0929 1121.8300 5.9205 1140.0876 3.5380 1155.1274 0.1304 1171.2712 1.3585 1185.4373 0.0401 1189.2395 8.6507 1207.4339 1.0820 1214.6626 0.5047 1226.6932 1.4601 1242.3049 1.0600 1244.2922 0.3967 1259.6382 0.4964 1291.8632 0.4227 1303.1431 6.8032 1305.4230 8.3261 1327.5113 0.4977 1339.6067 13.1288 1369.2978 2.0932 1378.3178 2.6893 1388.9220 0.9238 1396.5487 3.2334 1401.8286 0.0130 1415.8883 0.2214 1422.8224 0.0056 1436.5988 3.5397 1455.8746 5.3547 1461.7136 0.0177 1462.7903 3.0679 1475.7625 3.5649 1497.5906 3.4415 1501.7387 1.0184 1522.4016 3.3844 1536.6847 0.2620 1553.2281 0.1461 1558.7366 5.5359 1581.9254 1.4102 1622.4032 0.1438 1627.0877 0.2728 1633.9521 1.3635 1639.0398 3.5007 1657.2383 13.6803 1665.7568 3.6637 1669.9440 3.5410 1681.6910 12.5630 3175.6346 2.0722 3176.1168 0.8779 3177.3284 20.4583 3178.6190 1.9571 3179.4590 0.0655 3183.1265 2.1770 3183.7311 2.8550 3194.1914 6.9079 3196.3687 38.8975 3197.3412 87.3060 3197.4585 74.2438 3200.8467 15.7631 3211.9421 9.4229 3226.6983 35.5907 > 0.23699 GHz 0.18166 GHz 0.10284 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$