NIST 07021513073D 1 1.00000 -833.10453 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 33 32 0 0 0 0 0 0 0 0999 V2000 0.1806 2.4940 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 2.5788 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 2.0083 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 3.3470 -0.1597 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.3673 4.3063 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 3.4544 -2.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 3.0343 -3.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9836 4.3299 1.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 2.7053 -0.5452 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 5.5075 1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 6.0618 2.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1334 1.8293 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5144 1.6325 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 2.9532 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 1.9577 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 3.1300 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 1.3364 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 1.4158 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 4.7201 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 5.1563 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 3.1421 -3.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3627 2.3979 -4.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 3.3156 -3.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 5.2729 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 6.2566 0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 6.9722 2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 6.3043 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 5.3264 3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2175 2.2495 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 0.8625 0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1120 0.9526 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4336 1.2080 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0414 2.5896 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 3 4 1 0 4 8 1 0 4 9 1 0 4 5 1 0 8 10 1 0 2 3 1 0 10 11 1 0 5 6 1 0 9 12 1 0 1 2 2 0 12 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 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. > 2015-07-02 > 13081-67-9 > B3LYP/6-31G* > 1.5701 debye > -833.104534310 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.6465 0.0079 29.5531 0.0384 37.0070 0.0187 49.0614 0.3465 53.6672 0.6028 57.0681 0.2369 65.5539 0.3992 87.9210 1.8218 94.5406 0.8981 114.3679 1.5492 149.4413 4.1177 175.3887 2.2399 194.9333 0.8135 247.4193 2.4234 265.6943 1.1767 276.5137 2.6541 279.9927 5.5744 317.1707 13.8192 329.5877 10.0919 387.6347 0.2461 401.7832 3.2062 434.1345 9.0784 435.9387 21.0524 564.7619 3.5195 625.6054 64.8987 694.4694 7.3548 727.7209 4.2149 754.4123 12.5618 807.5079 41.4861 816.4115 101.3315 822.4015 0.2405 823.2257 2.3511 835.8381 105.7842 917.3201 88.1631 921.0847 4.3787 947.0728 7.8204 947.8159 18.8100 964.4143 82.4092 973.7760 80.6664 1033.3152 18.2812 1037.9209 2.4232 1070.1324 42.0867 1075.6360 3.0894 1110.2290 286.7027 1115.7508 197.0650 1138.3993 88.5161 1141.2681 157.5175 1193.0668 5.6933 1193.9076 4.9631 1218.0534 38.1496 1223.8120 89.2219 1235.0887 1.3952 1239.5439 9.5653 1326.5425 0.1213 1327.9354 0.0294 1339.3763 0.5926 1340.5758 0.2302 1421.5078 7.4145 1421.8663 15.0813 1447.4745 39.1572 1448.5911 33.6551 1459.3273 1.2597 1460.6332 11.5569 1487.5366 8.5423 1487.8431 6.6644 1513.9522 4.5876 1514.1464 4.3247 1527.3970 3.8757 1528.7733 0.8886 1550.7627 1.6491 1553.9887 3.0599 1719.9949 29.6054 1720.7990 7.3614 3013.9195 45.8719 3015.0472 35.1019 3029.4205 18.5989 3029.5486 17.9501 3047.9578 41.5201 3050.0137 33.5029 3055.6636 22.1171 3055.8166 19.4747 3085.1489 7.8410 3085.7845 7.9503 3125.6362 22.4352 3125.8246 40.5596 3134.0881 29.5836 3134.4413 34.8270 3152.1406 9.2671 3152.4961 18.1575 3160.9707 12.9812 3161.2580 3.0540 3234.3660 45.1610 3235.3628 0.7072 > 0.62607 GHz 0.50039 GHz 0.38603 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$