NIST 07031522223D 1 1.00000 -1379.22468 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 69 68 0 0 0 0 0 0 0 0999 V2000 2.9036 1.4706 -0.2978 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 1.9049 -1.4187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 1.6396 1.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 2.4018 -0.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -0.0630 -0.6609 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9262 1.6998 -2.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 -0.7363 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 3.7663 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 1.1575 1.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 1.6593 2.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6993 4.3151 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8118 5.7817 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8947 1.1782 3.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 1.6775 4.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6053 2.0140 -3.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.1199 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7905 -2.9228 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 6.3582 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3381 7.8264 0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9282 -4.3211 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0973 -5.1319 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 1.1996 5.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -6.5283 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 1.7028 6.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7491 8.3986 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 0.6624 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 2.3546 -3.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 -0.1487 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3233 -0.8224 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 4.3596 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9619 3.8266 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 1.5048 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 0.0581 1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 2.7569 2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 1.3231 3.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 3.6922 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 4.2072 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5014 5.8781 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1043 6.3909 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 0.0784 3.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 1.5084 2.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2816 2.7771 4.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.3470 5.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 1.8749 -4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 3.0497 -3.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 1.3543 -3.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6783 -2.6649 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 -2.0021 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7277 -2.3667 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 -3.0187 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 6.2620 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9342 5.7534 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0293 7.9217 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 8.4292 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 -4.8783 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0514 -4.2273 -1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -4.5765 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9751 -5.2232 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7264 0.1007 5.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4421 1.5297 4.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0669 -7.0815 -0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 -7.1202 -0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3821 -6.4694 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 1.3455 6.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 2.7991 6.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 1.3592 7.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7975 9.4468 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0716 8.3516 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4798 7.8371 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 10 13 1 0 5 7 1 0 13 14 1 0 1 4 1 0 6 15 1 0 4 8 1 0 7 16 1 0 16 17 1 0 3 9 1 0 12 18 1 0 1 5 1 0 18 19 1 0 9 10 1 0 17 20 1 0 1 3 1 0 20 21 1 0 8 11 1 0 14 22 1 0 2 6 1 0 21 23 1 0 11 12 1 0 22 24 1 0 1 2 1 0 19 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 25 69 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. > 2015-07-03 > R138542 > B3LYP/6-31G* > 0.0449 debye > -1379.22467738 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 7.9750 0.0365 11.6339 0.0245 16.4256 0.0909 23.6562 0.1962 25.7137 0.0412 33.9695 0.2072 37.8033 0.5750 41.5685 0.3085 45.3100 0.3493 51.7001 0.4434 52.9807 0.0225 59.7134 0.5679 67.4094 0.2007 71.7703 0.7317 86.7035 0.8166 90.5113 0.1769 92.0763 0.5637 92.7773 0.7018 115.7505 1.2647 118.4307 1.3547 131.2324 0.0218 142.3448 0.2598 144.8974 0.2218 147.8039 0.0708 152.7131 0.4239 155.4337 0.1416 163.3060 0.9318 197.4281 1.1577 211.8273 5.1435 214.6265 8.1836 235.8260 1.3410 250.0919 0.0377 250.8900 0.0269 251.7149 0.0259 256.3695 4.3117 258.8239 1.3779 277.8450 0.3747 298.8664 0.1773 318.1376 18.4018 338.5070 4.7386 385.7914 26.4602 386.8712 27.5124 411.7149 7.2795 443.3888 3.2970 450.3452 3.2768 457.5809 0.7220 491.2899 19.4527 506.2663 18.2319 511.5655 15.7600 719.4211 3.5482 740.9625 3.6052 741.2348 3.6730 741.4286 3.8482 761.1335 0.0098 761.4632 0.0274 762.1201 0.0007 813.6928 0.3737 815.0397 0.2009 815.6715 1.0743 822.2042 2.7597 836.4475 68.9371 881.7908 125.4689 892.5157 131.2071 904.9685 2.6371 905.7675 11.7895 906.1285 21.5095 909.4112 1.1912 909.6340 3.1564 910.7033 2.4922 983.0317 71.0600 1017.1630 5.2254 1018.1560 4.2741 1018.7253 12.1786 1019.5708 10.9236 1020.3115 1.4251 1021.5316 0.1953 1050.0018 5.2108 1051.4669 8.4317 1052.3783 5.4197 1065.7310 6.4026 1066.6693 10.5382 1068.2932 11.1755 1077.7713 0.1268 1080.4783 0.1463 1084.3530 0.1156 1113.2990 630.8467 1121.6141 429.4334 1124.4926 650.6126 1133.8385 163.7656 1150.2068 3.1760 1151.0585 12.4051 1151.2064 17.5911 1152.8142 23.8491 1194.8829 3.3362 1204.8333 0.5550 1205.2068 0.5471 1205.8143 1.0385 1245.6295 0.1329 1245.8978 0.2163 1246.4322 0.0793 1269.9718 1.3577 1271.5286 1.5330 1273.1654 1.3494 1300.5846 0.1493 1301.0014 0.1048 1301.1833 0.1373 1324.2733 0.4613 1332.6880 0.7337 1333.1951 0.7807 1335.6806 0.9164 1340.2715 1.1984 1340.4122 1.2272 1341.0094 1.1505 1344.9656 0.2305 1346.2135 0.1074 1346.3561 0.1172 1349.8134 0.1444 1349.8441 1.6514 1350.4785 1.1175 1400.5357 3.6185 1401.6369 3.8579 1402.0848 4.4783 1422.4643 5.0839 1427.1554 0.2572 1427.5704 0.2572 1427.8772 0.2445 1440.6435 1.4644 1440.6904 1.9693 1441.9400 1.7223 1445.6334 1.8351 1447.5426 30.0627 1448.0387 29.9679 1450.3069 30.1464 1514.1520 4.2328 1515.4384 0.2715 1515.6209 0.2603 1516.1967 0.2799 1516.9877 0.3716 1517.1852 0.3769 1517.7172 0.3642 1524.2890 0.4458 1524.4643 0.4577 1524.8353 0.2434 1529.7463 1.6579 1529.9162 6.0148 1530.0857 5.1503 1530.0949 6.2663 1533.7908 0.5117 1534.0096 0.3235 1534.4477 0.3259 1542.4383 4.2026 1542.6863 3.6291 1543.3309 2.8056 1552.4291 2.4650 1552.4608 1.9058 1554.2367 0.6956 1554.5356 1.8857 3012.2268 1.1432 3012.5580 0.6357 3012.7452 0.9349 3016.6573 1.4674 3016.7435 2.5705 3016.9239 1.0582 3019.4953 30.2861 3020.2390 33.9198 3020.8617 17.0054 3027.7850 61.2503 3027.9363 52.9562 3028.1273 65.9135 3028.4762 37.1991 3034.8251 0.3309 3035.0574 0.3930 3035.1434 0.3454 3041.2274 23.6554 3041.3518 18.5065 3041.4063 29.2741 3042.4423 43.9917 3042.6136 33.9723 3042.6623 147.9236 3046.8128 1.5591 3046.8846 1.6204 3047.2475 1.2639 3055.1915 20.1384 3058.9792 15.2148 3059.8247 19.5947 3060.8589 15.5695 3068.2106 23.6008 3068.4264 20.4254 3068.7867 29.7018 3074.2678 22.6746 3090.7724 56.8409 3090.8772 85.1204 3091.8371 120.9281 3106.4225 64.7651 3106.6612 59.1117 3106.7053 90.5685 3111.0340 46.0094 3111.0514 43.5951 3111.3843 44.0910 3124.9326 33.9972 3133.6568 36.6466 > 0.08811 GHz 0.08639 GHz 0.05339 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$