NIST 08061409233D 1 1.00000 -1063.20700 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 42 42 0 0 0 0 0 0 0 1 V2000 6.7586 4.5675 -1.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 3.2419 -1.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 2.2131 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8619 0.9229 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 2.3680 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0379 -0.9768 0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5727 -2.0334 0.7400 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 -3.2547 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1311 -0.1874 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1795 -1.2805 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -0.9660 0.5289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9288 -0.0481 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4781 1.2382 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -5.2437 3.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -4.5312 3.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -3.5278 5.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 -3.8630 2.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -2.8481 2.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5190 5.2198 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 4.7834 -1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 4.7608 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7905 0.8189 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 3.3535 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1133 -0.2798 1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -1.5929 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 -0.3888 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4172 -3.8805 -0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 -3.9278 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 -2.7240 -1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 -1.1810 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 -1.7109 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 -2.0449 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 1.3595 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -5.9928 2.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5829 -5.7568 4.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0497 -4.5253 3.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -5.2909 4.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 -3.0594 5.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -4.0221 5.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 -2.7317 4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 -3.4211 2.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -4.6233 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 6 7 1 0 7 8 1 0 7 11 1 0 7 18 1 0 10 11 1 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 3 4 1 0 4 9 2 0 9 12 1 0 12 13 2 0 13 5 1 0 3 5 2 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 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 > U346986 > B3LYP/6-31G* > 0.4194 debye > -1063.20700029 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.6979 0.0822 16.9682 0.7912 22.0306 0.0814 36.8328 0.6481 38.1036 1.0668 67.7627 0.3036 89.6045 0.0948 92.6971 5.2998 114.0839 0.0967 114.7696 0.2046 143.7673 2.4048 147.4562 0.7782 151.6024 0.6954 177.8770 2.9027 190.7980 1.9476 200.9109 2.9176 224.3473 0.1568 242.8010 0.5402 248.2327 0.2077 254.1768 0.6773 291.0996 2.7818 305.0042 8.8618 338.4854 3.9555 356.2064 21.2569 369.7462 7.3582 372.7789 0.2206 390.5142 5.1700 424.8484 0.3219 476.3966 3.2879 523.2437 7.0436 535.9559 14.5904 551.6905 0.7184 644.0320 9.3947 650.2307 2.1766 699.5625 3.2124 709.8468 0.2535 749.2650 22.4720 774.2902 8.2845 782.1917 1.2111 795.6263 3.5612 806.9470 13.7120 823.9189 81.3112 829.5795 18.0039 835.4616 29.0232 853.8090 17.6916 890.1030 139.0288 907.4808 337.8818 930.9918 0.2721 949.6836 1.6873 956.9690 0.4012 969.0595 2.7571 977.3284 21.2847 981.5004 0.7797 1031.4464 5.1380 1045.1745 0.7077 1079.4536 232.0108 1081.9599 195.0393 1125.3654 302.4992 1146.1248 51.2045 1158.3375 115.9732 1180.1585 1.1633 1185.7036 0.7302 1203.1442 38.6699 1218.0242 7.5699 1222.5811 15.6860 1234.8026 19.8540 1288.6259 5.9226 1295.2996 213.4000 1296.9772 19.2564 1334.6280 45.0598 1339.1474 36.7844 1340.9810 15.5173 1355.5668 77.1823 1373.8364 1.2236 1383.7528 2.4586 1422.3342 20.4738 1426.3543 25.4220 1429.5190 3.8682 1456.2857 15.6920 1469.6384 11.6455 1490.4844 1.7366 1491.3855 0.0605 1498.1605 1.4810 1499.7937 16.9301 1503.9950 10.7608 1517.5407 0.4348 1520.1647 5.1586 1526.7081 9.6666 1528.0915 1.1589 1534.8352 38.7680 1535.4312 8.5883 1543.6540 0.8380 1545.5405 11.3071 1567.7531 101.1557 1637.8730 21.1089 1677.9348 44.5827 2988.0396 37.7306 2995.3587 32.3954 3015.1914 60.1529 3019.2564 28.9488 3022.8925 56.6337 3034.0657 47.4889 3044.4761 50.2182 3046.9737 10.2561 3049.4838 11.3591 3055.4188 1.9484 3080.4485 45.5104 3105.9317 19.0954 3109.0501 61.7464 3117.3338 14.9766 3120.4960 10.6402 3125.5007 5.6750 3130.0767 47.7068 3130.4099 24.0106 3133.4907 9.0873 3154.5559 30.4730 3169.5949 18.2920 3213.2172 11.9099 3215.2930 7.0806 3229.5809 8.0648 > 0.80039 GHz 0.12672 GHz 0.12264 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$