NIST 07021513133D 1 1.00000 -1829.49161 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 51 51 0 0 0 0 0 0 0 0999 V2000 -0.9075 -1.4896 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9995 -2.3630 -0.3283 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5137 -3.4241 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.3122 -1.4004 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -2.1051 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 -1.6303 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 -0.2179 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 -2.2926 -0.7786 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.4363 -1.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 0.4456 -1.8642 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 -0.4542 -3.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 0.6805 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 2.0782 -2.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 0.2938 0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 0.3437 0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1184 1.8124 1.7166 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 3.1797 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9701 2.0482 1.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 1.6460 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -2.3137 0.3080 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 -0.9631 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6866 -2.1724 2.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 -3.9858 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -4.2762 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1561 0.1078 -3.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 -1.4450 -2.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7495 -0.5847 -4.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 -0.2710 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 1.3838 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1094 1.0757 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9847 1.9264 -3.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3341 2.7630 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 2.5735 -1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 4.1567 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 3.0318 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9164 3.2130 -0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 2.9743 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4165 1.2241 2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4993 2.1220 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 1.4387 3.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 2.5712 3.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6721 0.8337 3.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7089 -1.1651 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7049 -0.9275 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 0.0190 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1217 -3.0028 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2417 -1.2366 2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -2.2284 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -4.8288 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4898 -4.0151 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5165 -4.1508 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 5 2 0 1 7 1 0 3 2 1 0 2 20 1 0 4 3 2 0 3 24 1 0 5 4 1 0 5 6 1 0 6 8 2 0 6 9 1 0 7 14 1 0 7 15 2 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 21 1 0 20 22 1 0 20 23 1 0 21 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 23 51 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. > 2015-07-02 > R94866 > B3LYP/6-31G* > 6.7234 debye > -1829.49160834 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.6602 0.3411 29.2245 0.3927 31.3065 0.3936 33.8441 0.5299 43.5251 1.1702 63.2540 1.2167 69.0567 0.2489 79.7123 0.8885 88.3459 0.0837 107.1908 0.4922 111.6567 0.2369 121.4473 0.0365 124.2522 0.7683 129.6063 0.1064 133.3655 0.0170 136.4592 0.2291 141.8109 0.8531 145.0630 0.0831 149.4413 0.1820 156.1061 0.0697 157.5326 0.2910 162.4560 0.3816 171.8252 0.0733 185.2608 0.5849 191.5641 0.7113 200.7438 0.7610 203.5876 0.0937 207.1596 1.4014 210.0794 1.8573 216.5806 1.8979 220.4533 0.9920 229.3239 3.2998 233.0031 0.5636 246.4306 14.3847 248.1881 9.6990 274.2985 11.6012 287.8708 2.5703 296.4499 9.9511 307.7297 10.1282 319.5255 14.6807 368.7670 2.1743 413.8291 35.8319 455.0637 0.1866 576.7000 5.5297 599.3407 0.4576 609.5997 5.9286 630.9011 20.3835 650.2132 11.0590 689.0184 1.8142 690.7978 31.1035 696.2483 11.0989 699.4451 5.1488 699.9959 8.1663 701.2379 5.8800 706.4079 3.6337 710.4766 0.2058 712.6586 1.0891 716.5955 0.4510 727.5852 76.0692 751.9146 34.8294 760.1915 4.9979 772.5152 24.0148 779.6898 14.2324 792.1200 23.6853 792.7807 14.3958 798.3929 33.1476 800.9902 34.0357 817.2722 12.6144 824.3448 31.9313 847.1978 58.5946 855.2617 5.4391 886.2305 275.6692 891.2532 56.1125 893.4670 20.6031 895.8344 39.3030 897.6481 142.4963 898.8929 200.9591 901.5696 227.7923 905.7759 259.7147 916.9628 220.1409 1010.3015 2.9866 1098.3143 417.6727 1199.5729 299.4962 1226.8648 191.9206 1255.7160 193.4885 1327.1665 44.5782 1327.5636 49.8687 1327.8827 22.1931 1329.2218 68.9753 1330.9154 44.2039 1331.1614 42.1921 1337.7244 28.6694 1340.8637 29.9303 1342.0702 54.1448 1348.9086 130.7482 1362.1694 66.0164 1393.1942 247.1012 1480.1305 0.2207 1480.9087 0.2820 1481.5530 0.1761 1488.1594 1.5794 1491.0232 0.8226 1491.2534 11.3248 1492.4301 5.3471 1493.0218 0.4717 1493.5781 4.5050 1494.1587 1.8199 1495.0503 0.3061 1495.9778 1.3396 1500.4915 0.7072 1501.2570 0.7620 1504.4287 10.6613 1508.9077 61.7791 1512.0770 15.9510 1513.3666 10.0391 1516.4849 104.8319 1569.6578 155.8123 1755.7446 278.0691 1799.7384 226.4961 3045.5591 2.6886 3046.7247 2.4546 3046.8010 5.8482 3046.8351 0.6774 3047.8417 4.5304 3049.7142 6.9378 3050.1682 8.7504 3051.2977 4.2486 3052.8334 9.0430 3113.2357 1.8478 3113.3656 5.6458 3113.9477 6.6665 3114.4586 2.2500 3115.6161 4.7576 3117.3667 33.2409 3117.8958 7.2686 3118.0461 37.8634 3122.6219 19.7878 3125.6456 16.1432 3126.0970 11.8875 3130.1356 9.9097 3141.3773 5.3533 3145.1226 4.7122 3148.4648 3.7550 3150.6900 5.5715 3165.9077 5.6164 3170.4269 4.2922 3286.3221 1.4883 > 0.27031 GHz 0.14434 GHz 0.10636 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$