NIST 08061409233D 1 1.00000 -834.12098 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 34 34 0 0 0 0 0 0 0 0999 V2000 -2.0902 -3.5585 2.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 -3.0869 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -1.6755 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -1.1979 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 0.5150 -1.0695 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 3.0613 -1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 1.7879 -0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 3.4409 -1.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 0.8872 -2.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 1.8524 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.9073 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 1.2923 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3503 2.5653 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 0.3773 -1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -4.5689 2.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 -3.5756 2.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 -2.8924 3.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 -3.1103 1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -3.7918 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 -1.6526 0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4754 -0.9736 1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8224 -1.2073 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 -1.9150 -1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 3.7465 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8598 1.4763 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 4.4262 -2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 1.8894 -3.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.1649 -3.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 0.8169 -2.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2723 2.8396 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2532 1.6321 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7393 1.9224 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9276 -0.0846 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 2.8674 -2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 10 1 0 5 14 1 0 12 14 1 0 6 7 1 0 7 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 8 2 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 13 34 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. > 2014-08-06 > U299061 > B3LYP/6-31G* > 1.2926 debye > -834.120982241 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.0322 0.3198 34.3211 0.0114 37.7726 0.5072 60.5278 0.0062 89.0688 0.1338 99.4990 0.2070 121.4842 0.0088 127.8902 0.1000 137.9318 0.1220 181.3651 0.2420 187.0364 0.5821 207.7371 1.0880 211.0742 1.9605 225.9319 1.0868 253.1544 0.0889 290.5569 8.6810 335.0638 5.1283 380.6321 8.8320 410.1875 5.3960 424.8703 0.0403 505.0546 6.9739 529.7063 3.7795 614.1200 2.3759 632.2333 1.9685 682.2849 0.9450 690.0814 6.3732 702.7724 12.6620 707.1656 4.1461 728.3895 24.3533 752.1255 7.0027 769.3720 24.4123 775.7674 23.2645 806.6813 79.3067 832.8807 1.6254 852.7400 58.5783 885.4146 111.5295 899.8082 15.7513 902.5988 7.3985 905.3445 20.3947 940.1292 370.7407 954.3975 0.0552 981.4000 0.5116 1016.8080 1.3004 1020.3668 8.4247 1055.1472 13.7291 1055.8572 14.6615 1069.1011 2.2970 1108.2105 6.2454 1113.3327 13.3515 1188.7920 1.4132 1202.7436 12.8638 1240.3875 7.2809 1245.4851 2.5624 1299.7866 396.8445 1322.6429 0.7365 1331.1631 30.6603 1332.7004 18.3412 1338.7762 63.2123 1351.7201 13.8341 1355.5536 1.5798 1365.5530 5.2823 1412.5916 0.1898 1439.7346 1.5981 1480.6013 3.0251 1489.3759 0.6438 1492.1103 1.0578 1495.6995 5.2178 1501.7600 1.6383 1503.3872 2.1797 1516.3434 0.5725 1527.2214 0.1562 1529.8516 5.9532 1540.6652 2.5767 1545.0474 174.1356 1640.7057 11.3927 1660.5338 107.6395 3011.8839 7.7514 3021.4355 2.9190 3029.2083 51.4583 3041.2760 32.6236 3043.0551 5.1277 3045.8063 21.1050 3047.9259 4.3382 3051.2725 0.1676 3076.9182 45.1023 3106.3492 64.0276 3110.7026 46.2792 3112.3051 16.4084 3117.8343 20.7041 3122.8592 14.3553 3128.4894 13.4410 3181.3309 4.1532 3188.7094 12.8115 3205.1910 40.2475 3211.9268 23.3680 3215.9477 1.1291 > 0.91448 GHz 0.29896 GHz 0.24660 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$