NIST 07191523033D 1 1.00000 -2246.79406 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 71 71 0 0 1 0 0 0 0 0999 V2000 -1.9891 0.0400 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2707 -1.4648 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -2.0380 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -1.6620 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1254 -0.1286 0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 0.3225 -0.4007 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 0.3385 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6756 1.7511 0.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7287 -2.1851 1.9391 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 -1.4833 2.1304 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8543 -2.2024 -1.3839 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 2.7162 1.8865 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 2.6355 3.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 4.4546 1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7911 2.1813 2.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -3.4476 1.8086 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -3.7511 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 -4.9901 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 -2.9516 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 -2.0979 3.6841 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 -1.5689 4.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -3.9831 3.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -1.3342 4.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1862 -1.9516 -3.0138 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9119 -0.7822 -3.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 -3.6577 -3.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 -1.2790 -3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 0.4775 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4398 0.5237 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3471 -1.6111 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 -3.1317 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 -2.0824 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 0.3215 1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 -0.1197 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 -0.0181 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 2.9356 2.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 1.6259 3.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 3.3084 4.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2357 4.7509 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4655 5.1890 1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 4.5160 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 1.1576 2.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 2.8377 3.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 2.2259 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 -4.5621 3.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 -2.8549 3.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -4.0284 4.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -5.7910 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 -4.7922 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 -5.3767 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -2.6989 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -2.0859 1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 -3.7787 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2099 -1.8571 5.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1238 -0.4811 4.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7774 -2.0269 3.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 -4.3653 4.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 -4.3369 3.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 -4.4411 3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1135 -0.2438 4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1089 -1.7143 5.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -1.5537 4.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 -0.4593 -4.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7648 0.1083 -3.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -1.2793 -3.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 -3.6039 -4.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 -4.3401 -3.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -4.1045 -3.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0675 -0.2680 -2.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1872 -1.2345 -4.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 -1.9268 -2.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 1 1 0 0 0 0 2 30 1 1 0 0 0 2 3 1 0 0 0 0 3 31 1 6 0 0 0 3 10 1 0 0 0 0 4 32 1 6 0 0 0 4 3 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 33 1 1 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 10 20 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 12 13 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 12 1 0 0 0 0 14 40 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 17 1 0 0 0 0 17 45 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 50 1 0 0 0 0 19 53 1 0 0 0 0 19 16 1 0 0 0 0 20 22 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 54 1 0 0 0 0 22 57 1 0 0 0 0 23 61 1 0 0 0 0 24 11 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 71 1 0 0 0 0 27 24 1 0 0 0 0 28 1 1 0 0 0 0 34 7 1 0 0 0 0 35 7 1 0 0 0 0 36 13 1 0 0 0 0 39 14 1 0 0 0 0 41 14 1 0 0 0 0 44 15 1 0 0 0 0 46 17 1 0 0 0 0 49 18 1 0 0 0 0 51 19 1 0 0 0 0 52 19 1 0 0 0 0 55 21 1 0 0 0 0 56 21 1 0 0 0 0 58 22 1 0 0 0 0 59 22 1 0 0 0 0 60 23 1 0 0 0 0 62 23 1 0 0 0 0 63 25 1 0 0 0 0 66 26 1 0 0 0 0 70 27 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. > 2015-07-19 > R440756 > B3LYP/6-31G* > 2.0343 debye > -2246.79406323 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.1638 0.0743 20.0680 0.0728 20.8264 0.1265 24.4476 0.0884 28.6491 0.4987 31.1727 0.0470 34.4328 0.3497 40.5494 0.1090 49.0478 0.9100 53.8648 0.2983 62.3575 0.1172 86.7275 0.4765 100.6843 0.8884 112.1219 0.0423 122.1149 0.1919 127.3162 0.9275 129.5886 0.6789 131.2749 0.2374 133.4660 0.0423 135.0587 0.4715 138.4816 0.2773 143.5773 0.0108 144.8728 0.3256 148.5730 0.4937 150.5242 0.5228 154.5509 0.0776 157.4506 0.1673 160.5749 0.1618 162.8052 0.0924 166.6915 0.2671 169.3978 0.0490 175.4628 0.3028 181.8778 0.0303 188.7902 0.8636 193.2738 1.0038 200.7324 0.1735 203.4623 0.5916 208.8942 0.0853 211.0857 0.1672 218.5758 1.1089 229.4488 2.2762 230.5543 1.1647 240.3833 1.8143 245.3155 3.0534 274.8246 17.0323 278.2131 4.2297 291.1447 13.2830 294.9467 5.6728 300.4590 4.2174 307.2028 5.5873 322.5149 10.5443 328.1601 5.9559 353.4196 12.4396 389.7179 5.2138 456.8936 10.5160 466.4185 10.9795 514.9596 13.7189 535.8528 8.3972 581.9843 4.9478 591.2555 0.8952 594.3958 1.7734 604.2173 0.4286 642.1629 7.5765 680.4226 7.1986 681.3616 10.4822 687.7693 13.1627 687.9417 1.2861 688.8139 13.7775 693.7849 5.8658 694.0059 7.7410 694.4960 3.7085 696.5917 0.2220 697.9832 0.9690 699.6638 0.7269 701.9204 42.4611 705.6250 2.2920 742.9205 27.4273 773.3702 15.1528 774.9624 17.3313 777.6794 17.0310 781.9572 31.7782 783.7234 3.5780 786.8857 40.1239 789.0200 28.2700 789.7987 10.2820 791.6068 26.8124 805.7802 14.5367 836.1660 5.2632 857.4919 14.4113 873.9278 10.6530 880.4722 17.1107 881.5246 82.3161 883.7398 78.7132 884.9732 189.9307 887.0078 48.1056 888.3523 138.4792 889.5933 99.5756 892.3926 112.1694 902.3397 307.4427 912.9396 347.2688 917.3188 253.5923 926.8880 121.8720 965.6525 148.3034 1018.6848 105.7842 1057.8571 12.4659 1082.6310 108.6121 1100.8340 142.4572 1118.0291 97.9315 1129.9549 374.0352 1139.4599 229.0896 1161.4699 153.9642 1167.8345 109.3464 1168.6901 165.3939 1266.2384 15.6639 1284.9461 15.3716 1312.4091 4.9027 1323.1784 12.0225 1325.2955 26.1689 1326.2687 41.3117 1328.0537 22.7136 1329.3738 37.7692 1330.4073 24.6621 1330.7778 46.4152 1332.7710 30.8976 1334.4283 39.7019 1336.2534 39.5865 1336.5914 32.6406 1341.8291 31.0365 1344.3466 34.9880 1348.4095 41.0961 1375.5667 16.0716 1379.6346 23.2486 1388.2821 13.4873 1406.3490 8.6940 1422.2018 10.4613 1434.4962 9.6952 1441.5976 12.0767 1483.4326 0.0984 1484.5857 0.7043 1485.5959 0.0911 1485.8195 0.6571 1488.2919 0.4854 1489.6021 0.1362 1490.0260 0.4078 1490.7294 1.0681 1491.7385 0.3202 1492.5275 0.8942 1492.6987 0.9255 1493.9124 0.3589 1495.5849 2.8333 1497.3275 2.6971 1497.5903 2.2422 1497.9399 1.2104 1498.8482 2.0925 1499.4267 2.8361 1500.1846 1.2157 1502.0038 3.6819 1507.5977 12.1237 1508.5557 10.3936 1508.7806 6.2193 1512.6556 11.9226 1521.5119 9.0473 1531.0657 4.5242 3019.0099 12.1651 3028.2227 7.4814 3033.6417 59.4382 3037.4546 10.8623 3038.1469 7.1573 3040.0040 7.6095 3040.5838 5.7226 3040.8945 10.5848 3041.5214 5.0217 3042.2615 9.8722 3043.0089 9.0264 3043.2608 3.0859 3044.9392 27.0558 3045.1223 2.1686 3045.9110 22.6933 3046.7652 4.1177 3047.0731 3.5263 3053.5046 52.4731 3085.3195 37.9383 3106.4598 1.2914 3108.5753 16.1632 3109.1720 3.3656 3109.2649 17.7885 3109.5625 32.1445 3110.2100 4.4558 3110.6794 16.7191 3112.2998 25.0575 3113.7860 39.7813 3114.2619 33.1597 3116.0085 20.5936 3116.3748 11.2626 3117.1581 8.4709 3118.0040 17.5572 3119.2493 22.3977 3119.3292 19.1920 3119.4585 19.1902 3119.5585 31.9949 3121.3994 19.4311 3122.9606 15.5327 3124.0032 17.8714 3126.1739 13.9292 3132.5550 13.1380 3132.9026 6.6115 3139.4390 10.0459 > 0.13515 GHz 0.10690 GHz 0.08834 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$