NIST 08061409233D 1 1.00000 -1836.84222 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 47 48 0 0 0 0 0 0 0 0999 V2000 -1.9195 3.7883 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 3.1200 1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 3.1451 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 1.8261 1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 1.8476 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5315 1.1564 1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 1.1983 2.7749 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -3.9932 0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -2.2351 1.3747 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 -2.0884 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8857 -2.7541 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 -1.6065 1.2924 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9307 -2.0020 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.7603 -0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -1.4039 -1.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 0.5461 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -1.3223 0.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 -0.7699 -3.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7395 -2.7528 -2.0036 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 1.1790 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 0.5219 -3.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 -0.0904 1.7481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6285 -1.5324 1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 -3.1492 -1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5967 -3.4118 -3.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 0.4532 3.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 1.4811 2.6652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 4.8006 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 3.5827 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 3.6569 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2591 1.3365 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 -4.0338 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -4.6060 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 -4.4527 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 -1.0587 3.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 -2.7411 3.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 -2.3720 3.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 -2.4532 3.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -2.7280 2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5866 -3.7911 2.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5927 -1.2604 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 -2.0181 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 -2.9833 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 1.0450 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -1.3133 -4.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7565 2.1926 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 1.0145 -4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 6 22 1 0 7 26 2 0 7 27 2 0 8 9 1 0 9 10 1 0 9 17 1 0 9 23 1 0 11 12 1 0 12 13 1 0 12 22 1 0 12 23 1 0 14 17 1 0 15 19 1 0 19 24 2 0 19 25 2 0 1 2 1 0 2 4 2 0 4 6 1 0 6 5 2 0 5 3 1 0 1 3 2 0 14 15 1 0 15 18 2 0 18 21 1 0 21 20 2 0 20 16 1 0 14 16 2 0 1 28 1 0 2 29 1 0 3 30 1 0 5 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 13 42 1 0 13 43 1 0 16 44 1 0 18 45 1 0 20 46 1 0 21 47 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 > U347242 > B3LYP/6-31G* > 6.3984 debye > -1836.84222342 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 11.1629 0.5148 13.2435 0.0496 21.4743 0.5410 26.3106 1.3339 35.0745 1.6063 46.1796 2.9391 58.9066 0.8187 63.3211 1.0273 70.6747 0.7852 80.7808 1.3267 93.6954 0.4249 120.2057 0.3321 130.1504 2.1950 139.2280 2.0836 149.2730 0.1652 150.2319 0.5041 154.1689 1.0944 165.0905 0.0223 170.6326 0.0334 178.4845 0.1035 183.9595 0.7310 201.7981 0.8833 207.1807 1.8304 225.4055 2.2096 230.1660 0.7874 248.5699 3.1177 257.1899 3.9009 290.6578 3.6554 300.2453 5.1874 333.3641 14.2238 342.7350 31.7876 367.3006 8.2686 376.2209 5.5148 398.0941 9.5272 400.2584 5.8697 447.6553 4.3128 451.1153 4.7451 482.5188 15.4620 498.7354 23.4607 540.6176 4.9651 552.3028 4.3336 562.0512 5.5440 575.9824 1.3832 582.7264 2.0725 639.7685 7.3070 665.6139 9.1161 669.9000 4.6453 697.0090 11.2343 706.4551 1.3951 708.0553 9.2471 709.3036 7.8642 713.3799 1.9489 725.8653 18.3649 734.4654 30.8155 764.7153 43.3211 767.1973 57.0116 777.4774 1.6011 784.1095 0.6976 795.6800 7.9295 800.1817 11.0218 822.0216 44.3555 830.5476 95.1362 853.5195 84.8341 855.3801 26.1745 858.9016 188.4184 879.7179 102.9718 882.4250 9.7837 884.4509 48.8352 896.6997 5.1143 914.8041 110.5646 938.4147 146.6430 950.2960 308.3500 963.8597 8.5572 971.1280 8.2102 988.9414 0.2746 997.6404 1.4741 1063.1755 596.5006 1067.5844 29.9336 1069.2987 6.3556 1112.3494 31.9407 1116.3464 21.9566 1172.2838 14.8775 1174.4220 18.3880 1193.0122 3.3673 1194.0047 3.6877 1285.2981 16.1389 1285.4200 30.0318 1313.7817 184.2465 1317.4608 197.3669 1336.3923 52.5101 1340.7224 28.4924 1342.3839 59.1890 1348.2781 71.1155 1363.1112 33.6236 1366.9618 31.0626 1398.0303 261.2576 1404.3664 277.5900 1484.7001 1.9020 1486.0929 4.8164 1486.8996 0.3659 1489.3998 1.1602 1490.7016 4.7752 1492.0263 7.7396 1493.6279 8.2797 1495.6430 2.4946 1499.2815 0.4129 1502.4547 10.4816 1526.5488 65.3747 1528.6759 214.6897 1609.7455 109.8496 1610.9807 79.5466 1633.6642 87.8425 1635.2011 91.3615 1665.0648 103.7702 1667.7571 243.8329 3046.5559 3.8873 3047.8868 1.4379 3052.8093 1.5891 3054.6304 4.4452 3113.2491 15.3707 3121.2065 5.7846 3124.7473 8.7732 3125.8639 15.0256 3126.0753 14.0764 3136.2998 5.1868 3141.2301 4.6960 3146.6767 0.9607 3196.7785 6.9462 3198.7547 4.5351 3214.9737 13.6439 3216.0314 11.4104 3223.6386 5.5226 3229.3661 0.8911 3240.3816 1.3407 3245.9850 1.4551 > 0.23801 GHz 0.13849 GHz 0.11635 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$