NIST 08061409233D 1 1.00000 -854.96893 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 41 40 0 0 0 0 0 0 0 0999 V2000 102.0608 39.5090 -0.4326 Si 0 0 0 0 0 0 0 0 0 0 0 0 101.0879 41.1297 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 103.5465 39.6898 -1.1955 O 0 0 0 0 0 0 0 0 0 0 0 0 102.3175 39.0559 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 101.1943 38.1028 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 99.8081 37.8155 -0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 101.0185 38.5134 -2.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 102.0528 36.8211 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 104.5568 40.6080 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 110.3117 42.2311 -2.9426 N 0 0 0 0 0 0 0 0 0 0 0 0 109.2250 42.3160 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 108.0761 41.3812 -2.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 106.8842 41.4622 -1.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 105.7405 40.5107 -1.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 100.0922 41.0253 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 100.9552 41.4601 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 101.6015 41.9347 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 102.8944 38.1307 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 101.3595 38.9159 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 102.8577 39.8470 1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 99.3057 37.0069 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 99.8804 37.4975 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 99.1486 38.6915 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 100.5444 37.7003 -3.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 101.9817 38.7349 -3.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 100.3802 39.3994 -2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 103.0466 36.9820 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 102.1868 36.4667 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 101.5689 36.0097 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 104.1625 41.6366 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 104.8891 40.3866 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 111.0544 42.8824 -2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 110.7313 41.3024 -2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 108.8616 43.3521 -1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 109.5403 42.0935 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 108.4487 40.3457 -2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 107.7573 41.6232 -3.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 106.5079 42.4959 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 107.2251 41.2410 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 106.0987 39.4727 -1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 105.3858 40.7250 -2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 3 9 1 0 5 6 1 0 5 7 1 0 5 8 1 0 9 14 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 2 15 1 0 2 16 1 0 2 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 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. > 2014-08-06 > U333015 > B3LYP/6-31G* > 2.1296 debye > -854.968929306 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.7436 0.1527 29.7895 3.3922 34.2826 0.1059 41.0376 0.1167 66.8142 0.6680 88.2452 1.8881 98.2690 0.1785 127.4105 0.2523 140.6792 0.0753 143.2534 0.7005 145.3514 0.4440 154.1552 0.9433 155.4911 0.9569 198.3758 0.4163 214.8052 0.2139 225.3331 1.4113 228.6892 1.2714 244.9349 1.7970 268.1494 44.5648 276.3018 1.6724 290.3036 1.6001 301.8268 4.9059 311.6462 7.3113 323.2606 10.6493 371.2198 5.8958 393.4857 1.9450 403.0607 4.1032 449.3312 0.8007 487.3410 6.8522 564.9633 0.6001 658.5244 13.6754 680.9118 8.5612 749.4009 2.5968 754.5509 0.1593 780.8134 28.2037 782.5656 0.9858 795.0218 81.7894 828.6600 4.1907 850.3335 35.5571 870.9757 206.5829 885.7592 167.3862 894.8951 74.2991 955.4610 3.4823 957.9211 6.6663 969.2734 0.7943 976.0193 0.2068 997.7453 7.8609 1031.1070 14.7240 1040.2186 8.1093 1047.0935 4.2923 1062.9656 3.0092 1082.0720 13.2355 1098.1893 9.0577 1120.5574 408.0847 1161.2150 10.5021 1208.8497 1.4825 1225.1932 0.0377 1228.9818 1.6457 1248.6379 0.8560 1251.4996 0.2485 1278.4947 0.6541 1313.1038 0.1464 1326.2710 39.6696 1333.0712 28.9370 1334.9254 4.7874 1343.9838 0.0471 1346.9849 1.0954 1367.1307 1.6124 1418.8478 6.6574 1424.0435 1.5347 1427.0190 1.5289 1445.8997 48.7548 1453.5324 5.0364 1457.5372 1.3848 1489.1554 0.0092 1492.7434 0.6398 1500.4216 8.1576 1502.6074 4.1414 1516.1804 0.0049 1517.5175 0.1298 1519.1047 0.2023 1520.4382 0.0381 1521.7407 0.1018 1532.7513 2.4097 1536.9175 3.5465 1537.7242 5.0879 1547.4326 5.3920 1548.0029 15.0403 1551.8487 1.6696 1696.9280 25.5486 2938.9790 83.0322 2989.2028 36.6328 3012.8782 13.2859 3017.9794 35.4939 3020.0821 20.5582 3020.5580 24.6135 3020.7809 36.0767 3026.9844 69.9135 3040.7968 9.0208 3041.8456 5.3548 3043.8815 12.9434 3044.2871 23.6128 3056.1307 45.8675 3079.2602 9.8376 3079.8465 6.0912 3082.0595 17.3739 3085.6289 76.1248 3091.4895 107.4142 3099.4243 38.9208 3108.9438 3.3161 3111.4654 30.1838 3114.9106 7.9595 3117.7238 57.2073 3121.2526 12.1113 3121.6849 9.7549 3456.1584 3.9005 3541.0884 1.5838 > 1.28560 GHz 0.17507 GHz 0.16881 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$