NIST 07061516323D 1 1.00000 -1644.50617 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 54 53 0 0 1 0 0 0 0 0999 V2000 1.5777 -0.6831 1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -1.3209 2.6138 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4121 -0.9263 0.5457 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6028 -2.1829 0.5784 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.4365 -1.9808 -1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 -3.8498 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8094 -1.8741 1.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 0.4789 1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 0.0597 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 1.0853 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 0.6748 -0.9768 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.7017 0.9225 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 1.7651 -1.9747 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 0.6729 -3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 2.9136 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 2.8307 -2.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 2.8617 2.0586 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 2.1495 3.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7007 4.2605 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 3.4846 3.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 -2.7289 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7184 -2.1017 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 -0.9906 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 -4.0023 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 -4.6667 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1902 -3.9259 1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2594 -0.8772 1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6241 -2.6088 1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3038 -1.9454 2.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 0.6568 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -0.0930 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -0.9101 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0959 2.0421 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0252 1.2554 1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -0.2155 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8406 1.5725 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1116 1.2847 -3.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 0.0321 -3.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1537 0.0239 -2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1219 3.5949 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9911 3.5319 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2933 2.3414 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 2.2074 -3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 3.5285 -3.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 3.4312 -2.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.8797 3.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 1.2532 3.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2531 1.8681 2.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 5.0372 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9193 4.7336 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 3.8990 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1993 3.9409 2.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 2.6785 3.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 4.2393 3.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 4 1 0 0 0 0 6 26 1 0 0 0 0 7 29 1 0 0 0 0 8 1 1 0 0 0 0 8 30 1 1 0 0 0 9 32 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 11 1 0 0 0 0 14 39 1 0 0 0 0 14 13 1 0 0 0 0 15 42 1 0 0 0 0 15 41 1 0 0 0 0 16 45 1 0 0 0 0 16 13 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 47 1 0 0 0 0 18 46 1 0 0 0 0 19 49 1 0 0 0 0 19 17 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 5 1 0 0 0 0 22 5 1 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 6 1 0 0 0 0 27 7 1 0 0 0 0 28 7 1 0 0 0 0 31 9 1 0 0 0 0 33 10 1 0 0 0 0 36 12 1 0 0 0 0 37 14 1 0 0 0 0 38 14 1 0 0 0 0 40 15 1 0 0 0 0 43 16 1 0 0 0 0 44 16 1 0 0 0 0 48 18 1 0 0 0 0 50 19 1 0 0 0 0 51 19 1 0 0 0 0 52 20 1 0 0 0 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. > 2015-07-06 > R401315 > B3LYP/6-31G* > 1.5286 debye > -1644.50617299 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 10.2038 0.2856 24.0264 0.0319 27.2617 0.0616 28.9797 0.0868 35.2112 0.0991 37.9278 0.0853 58.1520 0.3066 67.1555 0.3035 80.6390 0.9929 99.8508 0.2519 110.1590 0.8579 120.9321 0.9765 125.0372 0.8569 126.3548 0.0492 131.0575 0.0579 132.7378 0.2927 144.7102 0.0420 145.0424 0.3230 148.1560 0.1895 148.4052 0.0627 152.1673 0.0176 152.8028 0.2713 161.6379 0.1222 163.9574 0.1088 183.1542 0.7000 189.2392 1.0483 192.4257 0.0431 198.8448 0.5935 201.6145 0.6001 208.5696 1.0511 222.2983 0.2521 231.0411 1.3691 242.0153 4.0992 260.2096 8.3245 273.7211 10.1848 275.6949 1.4056 293.1197 14.5193 309.2000 13.8768 320.4699 8.6200 366.8912 8.3361 411.3627 18.7436 472.4088 93.4256 483.0929 68.6751 511.4709 41.0286 589.3223 17.6228 596.8690 1.3988 607.7745 7.3426 673.7156 5.2738 681.3166 11.7611 681.8744 16.4503 694.6504 7.0078 695.8276 5.8869 700.0654 6.3314 700.5548 5.0761 700.8962 0.8876 702.4706 0.0438 710.5529 0.1602 733.2784 12.6939 746.7776 41.1840 754.0343 14.8939 771.2868 7.8475 777.9676 19.0321 780.2205 25.3322 790.8699 9.2283 797.0091 12.8204 803.3726 67.4959 809.7843 17.8194 839.0018 0.9023 879.6345 87.6299 880.8838 99.9507 882.8184 72.5101 884.7951 76.8466 894.1604 61.5872 895.9895 105.0359 898.8143 331.6075 908.3748 273.2128 925.6263 125.4489 948.3538 226.3705 988.6056 49.5016 1058.2025 33.8421 1097.3234 10.0281 1127.7759 83.6125 1138.4636 199.3973 1201.6923 49.1379 1259.1692 134.1062 1299.5934 141.1063 1313.7973 114.6262 1325.5167 27.8363 1327.1841 28.4602 1327.9359 55.8896 1328.1394 8.5051 1329.4023 60.9883 1331.8212 66.4469 1334.2717 13.9927 1336.6584 26.5180 1339.8212 37.1976 1358.3308 7.0500 1365.2002 4.7615 1412.0371 1.0701 1445.5024 75.1084 1456.3509 51.4765 1481.5154 0.3087 1486.6526 0.5124 1488.2449 0.0948 1489.1963 1.2490 1491.0730 0.0367 1491.6232 1.5874 1492.7475 0.8487 1493.6136 1.4146 1493.9387 3.5000 1494.2220 1.3525 1499.7897 3.8551 1501.0670 2.5873 1501.3114 5.7593 1501.3653 0.8399 1501.5067 4.2051 1507.9251 8.3803 1508.4617 7.4956 1512.3330 11.3051 1514.8968 1.9771 1542.5949 2.9636 1790.1451 190.8181 2960.3736 66.2281 3027.1109 25.9823 3034.3457 8.4037 3035.3178 7.3160 3041.1366 8.4611 3042.1869 7.0826 3043.0089 2.8479 3044.2733 2.5344 3045.7373 2.2129 3047.3329 5.0792 3049.2630 6.2526 3077.9758 0.2583 3091.4950 14.2534 3101.2523 31.0098 3104.3168 11.0440 3104.7782 15.6923 3108.3100 5.7353 3110.5504 17.2909 3110.6122 29.2638 3111.9494 11.6745 3112.1024 37.5803 3114.2411 35.0442 3114.7206 4.7152 3115.0603 1.9260 3118.4797 34.6322 3120.5712 6.3418 3121.1991 3.5728 3122.5937 26.2820 3123.0405 27.7747 3124.5473 13.9765 3142.0975 4.5547 3145.7867 5.7671 3538.4688 5.0434 3539.8522 2.1971 > 0.28800 GHz 0.12471 GHz 0.09930 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$