NIST 07151509593D 1 1.00000 -2046.52536 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 76 80 0 0 0 0 0 0 0 0999 V2000 1.9939 4.2297 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 2.8246 -0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7821 1.8243 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 4.2687 -1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 3.1707 -1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 2.6265 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 1.8215 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6582 3.4912 -1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4825 2.5875 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4695 1.6996 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 2.7581 -2.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 3.3916 -3.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 3.3509 -3.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 3.4779 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5303 3.7956 -0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 1.9926 -2.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 4.8287 -0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7827 1.7057 1.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 0.7453 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 0.5581 2.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 2.6250 2.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9444 1.2122 -1.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 0.2163 -1.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4619 -0.6307 1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9195 2.9702 1.1366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7399 2.9036 1.4227 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 3.1880 3.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 4.2568 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 1.2171 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 2.1369 -2.4089 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0660 2.4989 -3.1394 Si 0 0 0 0 0 0 0 0 0 0 0 0 11.5321 0.9304 -4.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9557 3.9386 -4.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3855 2.8549 -1.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 4.7714 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 4.7588 0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 2.3802 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7746 4.1332 -2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6133 5.2582 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 3.4177 0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 0.8300 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7971 4.5356 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 1.0786 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0005 1.0444 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9254 2.8205 -4.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0066 4.4175 -3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 4.1357 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 2.4027 -3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 2.9028 0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0355 4.3651 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3768 5.5285 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0910 5.0203 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.1917 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 0.1728 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 0.0375 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9627 -1.3500 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 -1.0312 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0727 -0.4704 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 3.1705 3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 2.4148 3.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 4.1584 3.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 4.2429 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 4.1304 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 5.2518 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 0.9941 -0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.4116 1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5116 1.1764 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5174 1.0276 -4.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5703 0.0676 -3.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8039 0.7034 -4.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9336 4.0912 -4.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 4.8869 -3.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2326 3.7334 -5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1672 3.7536 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4704 2.0175 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3667 2.9916 -2.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 5 16 1 0 8 5 1 0 15 17 2 0 9 8 1 0 7 18 1 0 3 2 1 0 6 3 1 0 3 19 1 0 4 5 1 0 18 20 1 0 6 5 1 0 18 21 2 0 2 1 1 0 3 22 1 0 22 16 1 0 8 13 1 0 23 22 2 0 20 24 1 0 9 10 1 0 2 25 1 0 11 10 1 0 25 26 1 0 12 11 1 0 26 27 1 0 13 12 1 0 26 28 1 0 1 4 1 0 26 29 1 0 9 14 1 0 11 30 1 0 6 7 1 0 30 31 1 0 11 15 1 0 31 32 1 0 15 14 1 0 31 33 1 0 9 7 1 0 31 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 4 38 1 0 4 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 17 51 1 0 17 52 1 0 19 53 1 0 19 54 1 0 19 55 1 0 24 56 1 0 24 57 1 0 24 58 1 0 27 59 1 0 27 60 1 0 27 61 1 0 28 62 1 0 28 63 1 0 28 64 1 0 29 65 1 0 29 66 1 0 29 67 1 0 32 68 1 0 32 69 1 0 32 70 1 0 33 71 1 0 33 72 1 0 33 73 1 0 34 74 1 0 34 75 1 0 34 76 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. > 2015-07-15 > R183809 > B3LYP/6-31G* > 2.0121 debye > -2046.52535850 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 11.2136 0.0617 11.7711 0.0350 25.9963 0.0584 29.9205 0.7495 41.0787 0.2962 46.6935 0.3052 58.1563 2.2848 62.0499 1.5001 76.7157 0.5402 88.3534 0.6220 96.4899 0.4620 108.8477 8.2444 112.4360 0.8219 125.2304 1.6706 131.4124 0.3419 135.1292 0.0317 140.7517 0.1658 143.6653 0.0620 149.9671 0.3814 154.0586 0.1394 156.1610 0.3109 161.0602 0.0241 166.6584 0.4860 173.6488 0.5063 175.2970 0.4010 179.7260 0.5541 183.0887 2.0394 191.9270 1.0104 195.2733 1.5324 208.4633 0.6278 211.1010 0.4646 221.1540 0.2834 226.5898 0.3553 234.1858 3.0654 239.6119 1.2874 245.8479 2.9925 257.2862 2.8226 261.1878 3.8899 276.3881 11.5548 281.2668 2.8366 297.9906 1.0581 307.4299 8.3119 315.7478 7.4887 323.7771 0.8811 333.9589 5.1229 376.7754 6.5188 386.5399 2.4281 415.0897 6.8865 441.7322 0.5940 450.0613 1.9516 463.1464 3.9382 468.1201 1.7064 483.1247 2.1933 509.4778 2.6063 525.4434 0.2923 531.7215 6.5466 549.7070 10.1659 560.3096 6.3296 588.9403 1.7353 598.2752 5.7918 606.7553 2.4431 617.7138 1.9194 620.9001 11.8785 632.8149 1.1555 663.3377 1.6374 683.6781 7.5258 683.7107 7.7255 687.0143 7.6083 687.4320 4.9722 694.3780 0.2462 695.5758 4.0582 696.2281 0.7716 707.0628 0.7013 718.3220 4.4352 725.7960 2.0284 756.8347 11.0178 775.8694 21.3889 779.5963 20.5083 784.1519 21.0384 786.4210 19.1752 790.4091 18.2538 795.9969 3.9985 813.0532 6.3174 818.7756 1.1371 858.3609 2.7033 869.2227 17.5473 872.7902 16.5128 882.4256 96.9040 884.5435 66.1193 884.8063 53.5066 885.0214 116.8851 890.0531 58.1776 905.6732 15.8260 913.4819 294.0715 917.5408 24.5373 918.8559 256.1896 931.2129 7.9526 934.9209 23.2850 950.5713 27.6798 968.1445 19.0566 972.6641 87.2750 980.5049 11.0740 995.8826 4.6854 997.9746 31.7124 1026.1053 52.8993 1047.1279 13.8118 1053.5846 9.9964 1060.3723 41.9461 1078.5003 20.8939 1087.8289 32.9079 1094.2764 18.6157 1100.1634 507.2252 1114.6785 52.2897 1130.3223 5.9719 1135.6499 8.7404 1143.9985 1.3844 1160.6400 77.1073 1166.0824 135.0773 1170.0737 336.1047 1177.1849 26.0578 1177.7767 7.9884 1189.8867 25.9942 1206.3825 34.3997 1213.0432 39.8069 1233.9656 30.1841 1243.4782 103.4497 1244.3886 41.9199 1257.3211 19.7519 1263.8330 13.3175 1274.2676 2.7122 1285.5261 15.5590 1296.1966 27.2820 1310.0548 12.9175 1311.8955 53.4403 1316.6206 2.5976 1329.3880 34.2013 1329.7945 43.6788 1330.2010 33.9256 1330.9725 42.9720 1335.0602 36.8857 1339.2365 66.5842 1339.4925 5.5570 1349.0059 5.5374 1351.7569 3.4074 1363.5177 27.1103 1376.5669 13.1993 1377.3940 3.9809 1381.9254 16.2175 1395.3715 0.2207 1414.0986 2.1789 1429.3988 37.0325 1434.3427 14.4870 1445.6490 22.3948 1470.6056 2.6015 1484.7438 0.0913 1485.2865 0.5126 1488.8490 0.8105 1489.9568 0.4686 1490.2642 0.9462 1491.5013 0.1260 1496.9533 2.4718 1498.0020 3.0880 1498.3368 5.2490 1500.4334 4.9316 1504.7503 2.7379 1507.5724 10.8173 1507.7534 7.2593 1508.4520 7.8155 1513.8902 1.7546 1517.9065 1.4666 1519.2127 11.5317 1524.4123 14.7187 1525.6273 12.7151 1528.7013 4.8146 1533.4406 2.0842 1535.3699 2.6004 1554.0119 3.7238 1740.4739 6.3640 1824.2531 184.2527 1867.1358 315.5352 3006.0118 21.2265 3039.2213 3.8044 3039.4740 10.9760 3041.7137 5.7051 3041.7476 7.0407 3042.3970 5.2475 3042.9006 4.6096 3045.7146 6.3591 3047.6475 3.3236 3058.4514 38.1876 3061.2790 15.8111 3061.7958 9.2048 3065.6496 48.2915 3068.7227 23.7146 3070.2565 23.7855 3073.0406 16.1958 3096.9079 5.1119 3097.5235 21.7211 3101.0853 3.2716 3106.9817 3.8415 3108.8649 11.9368 3110.4599 38.4481 3110.6819 5.0340 3111.6620 7.3917 3113.3337 24.3839 3115.7494 43.8378 3116.3577 18.0895 3117.5288 6.3564 3118.9152 7.9231 3120.4427 33.7491 3122.1456 13.1404 3124.0593 6.0914 3125.5684 1.6666 3126.5588 10.5946 3126.6216 43.6688 3131.7234 17.2184 3134.3007 44.3043 3138.5955 18.3112 3165.1484 10.5653 3166.9566 15.5732 3167.2868 9.6916 3240.5077 14.7953 > 0.26429 GHz 0.05251 GHz 0.05016 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$