NIST 07091521503D 1 1.00000 -944.04586 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 31 31 0 0 0 0 0 0 0 0999 V2000 6.9809 1.5497 -3.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2522 0.5261 -2.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1102 -0.4742 -3.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6233 0.6682 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 2.8307 -2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.7884 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 0.5662 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7593 0.8710 -0.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7687 0.8561 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6048 0.6383 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8911 -0.3883 0.0759 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 0.7867 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2580 -0.5772 1.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1963 -1.9830 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4076 0.2153 -0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 3.5082 -3.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0015 3.1761 -2.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6227 2.7932 -1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 0.4302 -2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3817 0.9674 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 0.5728 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9018 0.8429 2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0286 -1.3408 2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 0.3619 2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3682 -0.8837 2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9611 -2.7697 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 -1.8523 -1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 -2.3464 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7548 1.1781 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2356 -0.4985 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 0.3465 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 10 7 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 10 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 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. > 2015-07-09 > 18001-14-4 > B3LYP/6-31G* > 3.7881 debye > -944.045864486 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.5887 0.4414 38.6602 0.4776 59.3242 5.2646 70.2174 1.2441 108.6419 3.3213 123.0919 0.2306 132.5443 0.8492 136.3004 0.1842 150.7713 0.1664 169.9357 0.8610 174.3028 0.4126 176.3436 2.3228 185.3627 1.0197 201.8262 1.8524 227.2694 0.6782 252.6833 7.5798 280.1602 3.9883 296.7531 5.4532 351.0284 0.7413 424.8633 0.8706 451.9511 5.6699 499.4036 25.9552 551.3068 0.9107 584.3876 2.2809 604.6546 1.8901 632.9476 10.9685 692.0002 6.0050 695.7029 8.8267 702.3738 6.3704 704.8862 0.4303 729.7045 11.5988 749.1932 14.5731 776.0392 34.0468 780.3006 23.4067 792.0721 14.3824 798.6693 24.6268 880.0327 4.1377 889.6727 58.3748 893.3332 92.6547 896.3080 90.9233 927.6419 370.0848 952.0344 9.4546 981.5297 0.2883 1030.2889 64.6549 1071.0943 4.9056 1126.1698 48.7518 1149.2152 87.0834 1183.2841 0.7425 1191.6319 4.4561 1210.9760 9.6588 1278.2838 132.8063 1282.5740 184.7698 1323.3789 256.4011 1330.5501 25.0429 1334.8579 38.3726 1339.1949 9.5191 1347.8688 33.8485 1483.9446 0.3189 1489.4024 6.9394 1490.1206 1.2862 1492.5437 36.9013 1496.2061 12.6728 1498.7542 8.7222 1501.2696 32.9557 1508.4899 14.3045 1515.7929 18.2262 1529.4537 86.0510 1541.2397 15.6803 1628.6281 14.8110 1655.6691 54.6295 1814.6465 283.0201 3042.0470 2.9618 3046.7129 3.8015 3048.2971 4.5801 3071.0516 32.7717 3112.2177 5.6665 3115.8861 13.2103 3119.5004 20.9242 3121.3713 15.9463 3127.3632 9.3470 3135.9878 2.1810 3152.9641 20.8353 3171.4576 14.7198 3189.7123 2.7700 3201.5797 8.5098 3211.7269 18.1804 3217.9331 11.5137 > 0.67870 GHz 0.46712 GHz 0.35657 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$