NIST 07141514473D 1 1.00000 -835.52856 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 37 36 0 0 0 0 0 0 0 0999 V2000 1.4107 1.1175 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2652 2.6441 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 3.3652 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 4.7634 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 5.5251 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 6.9979 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3711 7.7660 0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 9.4445 0.0102 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 9.8678 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 10.1258 -1.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5663 10.1297 1.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 0.3795 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2151 -1.1451 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 0.8035 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 0.8039 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 2.9686 0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7002 2.9690 -0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2046 3.0783 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 3.0782 0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 5.3064 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 5.3052 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 7.2105 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 7.2097 -0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 10.9533 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 9.4592 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7605 9.4546 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 11.2211 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 9.8577 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0722 9.7452 -2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 9.7535 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 11.2253 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 9.8592 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5124 0.6913 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5224 0.6909 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -1.6426 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 -1.4901 0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 -1.4899 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 1 1 0 0 0 0 2 16 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 3 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 5 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 27 1 0 0 0 0 10 8 1 0 0 0 0 11 31 1 0 0 0 0 11 30 1 0 0 0 0 12 1 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 36 1 0 0 0 0 15 1 1 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 21 5 1 0 0 0 0 23 6 1 0 0 0 0 26 9 1 0 0 0 0 28 10 1 0 0 0 0 29 10 1 0 0 0 0 32 11 1 0 0 0 0 33 12 1 0 0 0 0 35 13 1 0 0 0 0 37 13 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. > 2015-07-14 > R188913 > B3LYP/6-31G* > 0.1129 debye > -835.528564169 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.2487 0.3238 31.5966 0.1625 36.7573 0.1025 46.1696 0.1396 70.6980 0.0560 89.6126 0.0243 93.8914 0.0293 118.8761 1.6597 125.3802 0.0754 147.6362 0.5282 155.6504 0.0132 156.6089 0.4948 162.1802 1.3109 165.5292 0.0361 171.4974 4.3960 192.8309 0.9336 205.2702 0.3387 255.5059 0.0017 257.8587 0.8878 280.8076 4.5013 283.1544 15.7790 348.2946 2.9171 385.2280 0.6275 480.4159 9.2945 517.5012 3.9916 602.2225 1.6845 684.6106 9.3514 695.0738 6.8052 697.1547 0.0783 745.5324 3.3888 776.2041 25.9314 781.6790 11.1466 783.9686 0.0172 791.6330 28.5981 838.1908 1.1718 874.0212 0.0169 885.7605 109.3176 887.6291 105.7483 906.5366 22.6688 919.7887 251.0115 998.8250 0.9298 1017.6501 8.3990 1038.8400 20.3095 1062.0246 0.1994 1070.9162 0.7802 1106.4848 6.4894 1136.1601 321.8281 1162.4421 4.0460 1172.3768 343.2920 1174.7189 0.0005 1209.6376 1.2522 1247.1144 1.2239 1258.0798 5.6999 1285.3746 4.6566 1313.4220 0.5670 1319.0431 4.8151 1330.9323 41.2235 1331.4611 36.4781 1333.5623 0.1861 1339.8019 19.5674 1349.6928 0.2536 1362.3040 26.3383 1378.2226 42.5408 1422.0692 1.7713 1439.7803 5.3392 1444.7768 4.1896 1479.3024 9.6021 1486.3049 0.3374 1491.3660 0.1630 1491.8939 0.0812 1499.7015 1.4579 1501.3227 2.9824 1510.0064 8.9050 1517.8674 0.1526 1521.0661 0.5174 1531.5877 1.3811 1531.6804 5.6214 1541.1959 2.7924 1545.5264 1.6432 1553.9402 13.8839 1567.3292 0.3217 2964.1734 33.0297 2989.9693 48.9988 2990.1329 52.7580 3014.5220 13.2570 3015.9890 47.9034 3017.2095 23.3425 3028.0464 27.6317 3038.1402 2.3875 3040.4424 2.0877 3042.1974 31.0041 3042.2496 3.9536 3044.2704 58.9910 3047.1214 3.4973 3060.7131 72.0069 3062.0108 14.2309 3087.6241 58.7161 3106.8060 72.1449 3109.4013 0.9211 3111.8998 32.5750 3112.1839 40.9152 3117.1322 13.1822 3117.6824 6.9199 3119.3622 30.2047 3125.2109 14.8824 > 2.40179 GHz 0.14194 GHz 0.14091 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$