NIST 08061409233D 1 1.00000 -1212.22205 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 41 42 0 0 0 0 0 0 0 0999 V2000 5.6770 -0.9711 -3.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9813 -0.7237 -1.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6194 -0.8683 -1.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9764 -0.5997 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -1.2525 -2.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -3.5221 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -1.8588 -0.3426 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -1.8900 -1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 -0.7119 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -1.1065 -1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 -1.3704 -2.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5419 -1.2045 -1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 5.2226 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 4.1467 2.0649 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 2.9298 1.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1611 1.9012 2.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 2.6621 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 0.6274 2.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 1.3786 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9755 0.3562 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 -0.9157 1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 -0.7950 -2.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5469 -2.0082 -3.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 -0.2905 -3.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5796 -0.2958 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 -1.4639 -3.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 -3.4375 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 -4.2327 -0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 -3.9420 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5602 -0.8797 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 -2.4918 -1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 -2.3167 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 -0.4845 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 -1.6672 -3.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 6.0847 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 5.4503 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 5.0171 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6985 2.1242 3.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 3.4377 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 -0.1723 3.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 1.1808 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 6 7 1 0 7 8 1 0 7 21 1 0 7 12 1 0 10 12 1 0 13 14 1 0 14 15 1 0 20 21 1 0 3 4 1 0 4 9 2 0 9 10 1 0 10 11 2 0 11 5 1 0 3 5 2 0 15 16 1 0 16 18 2 0 18 20 1 0 20 19 2 0 19 17 1 0 15 17 2 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 6 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 11 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 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 > U347155 > B3LYP/6-31G* > 2.1841 debye > -1212.22205259 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 11.6200 0.4295 12.9522 0.0222 31.5321 0.9254 45.3450 1.8618 56.0793 0.6427 65.8237 1.4397 83.0078 1.8255 86.3168 2.0277 103.1669 0.0255 113.2736 0.0984 144.0468 1.0222 149.8369 1.0093 160.6740 1.5810 177.6291 2.1989 208.0489 2.6082 214.1013 0.3827 236.9968 2.0347 254.0105 0.2634 261.4500 0.1505 278.7395 2.5075 301.8657 31.0612 355.9842 7.5124 378.6194 5.1679 392.3262 5.2684 412.9825 7.0114 431.3379 3.8520 433.2007 4.0266 434.1457 2.6764 477.2149 11.3305 510.7308 6.6635 529.6382 5.8098 539.1459 4.3088 546.3728 3.1468 607.1000 7.5177 648.5133 3.4623 656.9976 7.0289 678.2508 15.1204 694.3652 2.9558 708.7479 2.7500 716.0341 0.3816 716.1453 0.3868 786.8154 0.3355 808.7365 16.8798 811.3011 19.0828 814.2374 11.6095 818.3545 1.7147 825.8923 73.2470 850.1876 64.9684 852.4309 114.9581 872.6691 81.7021 876.1949 54.2997 930.4580 20.6216 931.6414 42.9036 938.8637 243.8835 947.4412 416.1139 950.5621 81.1000 955.3874 38.0049 1030.0144 6.8182 1030.3880 4.1893 1082.1450 64.7562 1083.1874 87.1377 1134.5244 9.6764 1138.1434 11.1274 1186.1378 0.8154 1186.2119 0.7127 1198.2970 1.1586 1200.6004 0.9411 1218.4079 15.8648 1218.8717 11.7616 1261.0668 847.2866 1273.1281 426.3031 1299.1329 13.6735 1305.1439 2.4349 1334.2307 1.3030 1336.3445 35.5682 1337.6629 9.9904 1340.6612 56.6424 1349.9675 29.1908 1353.5867 17.3777 1466.2677 2.2493 1467.5275 3.9234 1487.2441 1.2332 1487.9947 0.1603 1493.2224 0.7696 1498.7762 22.5387 1500.0232 38.3472 1500.4406 29.7983 1520.4735 5.2735 1520.6369 5.2711 1535.0505 96.3847 1536.1914 63.1261 1557.3196 399.7772 1564.0542 217.7070 1634.9011 7.3989 1635.2710 4.2949 1674.3183 4.0574 1676.9889 0.4556 3019.5387 62.2506 3020.1751 58.2727 3054.1146 1.1468 3055.7239 2.2547 3075.8321 47.0747 3076.5334 46.2354 3127.5862 0.3605 3129.9616 18.9275 3134.5095 11.1549 3134.9137 8.5633 3153.7794 37.4511 3153.8298 23.3969 3204.6601 10.3523 3205.8135 17.8516 3207.8187 0.4455 3213.1281 7.4592 3219.6311 8.9465 3221.4083 4.1498 3227.9396 10.2023 3228.7196 5.6184 > 0.42541 GHz 0.13169 GHz 0.11100 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$