NIST 08101209293D 1 1.00000 -869.04913 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 -4.4982 0.3040 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2753 -0.8560 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 0.5402 1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 1.5536 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4723 -0.0683 1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 -0.6280 -1.0524 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 0.1631 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 0.4580 -0.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 -0.3298 2.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0272 -1.5387 2.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 -0.3306 2.9487 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.4103 2.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 -0.9145 4.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -1.8292 0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0043 -0.8817 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 1.5861 1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0588 2.4142 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3172 1.8256 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9824 1.3782 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4551 -0.3209 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -0.9210 2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6116 0.7719 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -1.5898 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 -2.5508 2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 -1.2337 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3901 1.4243 3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 2.1349 3.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 1.7535 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2475 -1.8914 4.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8784 -1.0165 5.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 -0.2107 5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 1 5 1 0 3 9 1 0 7 8 2 0 9 11 1 0 10 11 1 0 11 12 1 0 11 13 1 0 7 3 1 0 3 1 1 0 1 2 1 0 2 6 1 0 7 6 1 0 2 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 5 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 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. > 2012-08-10 > 42411-50-7 > B3LYP/6-31G* > 3.3679 debye > -869.049133579 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 39.1062 1.3052 44.3025 0.4696 86.6925 4.7457 102.5872 0.9700 132.9966 0.0285 157.6701 1.8386 166.5888 0.3665 171.3677 0.0045 181.2076 0.1141 183.5939 0.0458 197.4302 0.1554 208.5836 0.2765 221.0707 4.0580 232.8618 0.9763 254.8967 0.7124 290.2548 8.4610 308.5000 3.9610 312.4566 5.9965 349.4285 1.5334 384.5843 4.5198 440.5990 6.2382 517.0800 5.0449 574.1124 2.4160 604.0938 1.0249 681.5366 13.3554 691.8651 6.5764 697.3718 8.0741 706.5271 0.1829 709.6202 5.3777 784.1621 18.9658 785.4378 22.1992 800.3552 22.8225 836.1943 2.7886 891.7824 99.3400 893.9102 48.9263 897.0241 45.5451 909.1271 293.4979 942.4406 29.3457 949.4163 10.0211 971.3936 6.7192 1001.5495 11.7068 1042.6183 51.1519 1057.9759 40.3935 1131.8659 350.5155 1187.7115 86.1843 1215.0241 14.3313 1226.9528 8.5324 1269.8654 14.2571 1295.8388 29.9466 1319.2727 16.6180 1329.6737 42.1761 1330.5259 45.6246 1338.9608 26.0781 1386.4836 10.8771 1410.5326 5.3419 1427.1161 4.6447 1452.3681 7.7319 1484.3923 0.2602 1492.1298 1.1125 1492.7208 0.3354 1498.1088 5.5552 1502.8561 1.1676 1514.2010 10.8134 1515.4268 2.1002 1518.9222 1.2740 1533.5131 6.3990 1539.1061 14.2981 1543.9002 0.9429 1865.7604 319.0791 3042.2130 3.9899 3043.1758 2.9437 3045.3907 6.3639 3045.9364 15.2514 3051.6897 22.9360 3064.0651 29.6805 3075.3158 27.9804 3109.2888 12.7220 3110.8287 5.9253 3111.4675 9.5666 3114.2509 22.9848 3116.3100 32.2462 3119.0625 29.6907 3122.4878 16.2101 3127.0510 6.4576 3133.0008 27.9956 3135.4036 5.4429 3152.1104 16.7782 > 1.05688 GHz 0.50376 GHz 0.42895 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$