NIST 07021513173D 1 1.00000 -1199.14180 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 -3.4271 -1.3485 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2972 -0.7008 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 -1.1142 1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 0.3200 0.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 -0.5179 0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 0.3874 0.1089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 -1.0847 1.4027 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6916 0.8392 -1.0007 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.9278 -0.4615 -2.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5232 1.0273 -1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 2.5209 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -0.5776 0.8964 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 1.2226 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 -1.7136 1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -0.8814 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 -2.1441 2.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9508 -0.5919 2.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1607 -1.7643 1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 -1.9341 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 -0.2060 -3.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 -0.5266 -1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 -1.4522 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6539 1.4302 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0212 1.7130 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0509 0.0671 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 3.2234 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 2.4464 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 2.9410 -2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 1.5357 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 1.8759 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 1.3766 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -1.5105 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 -2.7667 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 -1.5801 2.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -0.2539 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 -0.6574 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -1.9292 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 1 1 0 0 0 0 3 19 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 12 1 0 0 0 0 8 4 1 0 0 0 0 8 11 1 0 0 0 0 9 21 1 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 10 24 1 0 0 0 0 11 27 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 14 1 0 0 0 0 13 29 1 0 0 0 0 13 12 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 18 1 1 0 0 0 0 20 9 1 0 0 0 0 22 9 1 0 0 0 0 23 10 1 0 0 0 0 25 10 1 0 0 0 0 28 11 1 0 0 0 0 30 13 1 0 0 0 0 31 13 1 0 0 0 0 34 14 1 0 0 0 0 35 15 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. > 2015-07-02 > 82326-10-1 > B3LYP/6-31G* > 0.9527 debye > -1199.14180105 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.6964 0.3064 29.0837 0.2964 41.1240 1.5468 53.1478 1.2611 65.1222 0.4058 92.5378 3.1233 107.1249 0.8655 119.8173 0.7961 125.4228 0.0761 130.2575 0.3536 138.2185 0.2372 142.4120 0.7252 146.8788 0.4945 157.1262 0.0394 158.3946 0.0192 173.8841 3.0425 185.4371 0.7603 190.9902 1.7763 195.4304 1.8743 206.5756 0.1055 210.8092 2.8308 219.3211 2.1861 237.4774 6.4706 258.3515 15.3255 274.3696 7.0359 288.7671 10.4756 325.2422 11.9348 365.3692 17.0713 480.3324 7.0556 555.2543 6.4610 590.4935 3.8893 606.8501 0.3657 665.6692 48.0695 686.5492 6.9194 697.1186 6.8746 699.2498 5.9831 699.3802 4.5277 707.9368 0.1842 708.8866 0.8591 726.7123 24.2670 763.6593 5.1263 768.9161 21.2409 782.8019 22.3491 790.8780 3.6645 796.8594 42.7737 800.4218 19.7148 843.6946 23.3956 889.0898 149.7942 891.1707 258.0335 893.8462 15.0934 894.4565 278.5674 897.3111 208.9923 911.0190 185.0207 984.1575 8.2931 1030.8935 358.4141 1075.8562 5.6911 1079.8133 22.8203 1212.0177 145.4064 1265.9807 821.1386 1322.4022 28.4828 1324.8609 51.3030 1325.0870 22.8482 1326.9944 54.0521 1335.2075 43.1205 1337.3539 24.6852 1431.7176 12.7612 1449.7333 130.6146 1480.6100 0.0376 1481.9966 0.0703 1490.2981 5.9863 1492.0536 14.9236 1492.7538 0.2975 1493.1926 1.6440 1493.6095 6.9764 1493.7058 0.7026 1500.0166 7.4654 1500.2421 0.2483 1504.5446 3.5715 1511.4102 21.2600 1512.3309 14.9846 1515.2212 31.1507 1668.3798 416.3607 1748.6870 340.8459 3040.1112 3.7667 3045.1140 2.2617 3045.7095 4.0563 3046.0514 8.2880 3047.8727 16.5672 3048.0933 4.9709 3051.0333 15.5840 3105.3273 10.9916 3108.1807 1.0178 3109.9941 6.6027 3112.5859 34.6460 3112.6829 6.6001 3113.4139 9.5288 3117.9244 31.6247 3118.7042 19.1772 3124.9217 14.3058 3142.9333 4.1647 3144.5434 11.7960 3153.1519 16.9674 3160.0366 3.3372 3165.6685 2.6172 3232.7261 3.7963 > 0.81704 GHz 0.24158 GHz 0.21316 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$