NIST 08061422133D 1 1.00000 -1360.93519 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 56 55 0 0 0 0 0 0 0 0999 V2000 -1.0198 -2.5557 -0.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 -1.9395 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -4.1871 -0.2681 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4876 -0.4555 -1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 0.4553 -1.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 1.9392 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 2.5554 -0.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 4.1867 -0.2692 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 4.2041 0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 5.0020 -1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 5.0627 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 4.3573 2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 6.5404 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 5.0120 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0011 -4.2050 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -5.0027 -1.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -5.0626 0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 -4.3571 2.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3593 -6.5403 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -5.0113 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8084 -2.1576 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5762 -2.3378 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5326 -0.1432 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 0.1430 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5741 2.3377 -2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 2.1574 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 5.2225 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 3.6541 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 3.7225 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9344 6.0448 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 5.0050 -2.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 4.4842 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 4.8311 2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 3.2982 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 4.4131 2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 7.0452 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4819 7.0971 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 6.6390 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 5.4971 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 3.9824 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 5.5324 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 -5.2235 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9156 -3.6548 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7889 -3.7239 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -6.0456 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -5.0056 -2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3944 -4.4852 -2.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 -4.8305 2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4572 -3.2979 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 -4.4133 2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4296 -7.0449 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 -7.0971 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 -6.6393 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 -5.4965 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6945 -3.9815 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 -5.5312 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 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. > 2014-08-06 > U352692 > B3LYP/6-31G* > 1.6188 debye > -1360.93518528 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.0952 0.0458 17.5179 0.0197 23.0553 0.0083 30.4737 0.2522 34.7385 0.0040 45.7060 0.0605 63.2002 1.5128 83.0123 2.0727 100.2657 0.3605 128.3347 0.1861 130.5304 2.1002 133.0544 0.0094 133.3950 0.4878 145.5115 0.4265 148.8440 0.1838 158.7678 2.1584 161.0255 0.0010 161.4871 0.2045 165.2019 3.0721 191.9563 0.5089 193.0364 0.4013 203.1347 2.2798 214.5970 0.0019 228.8406 8.4197 234.8936 2.8110 235.8991 2.1114 239.9611 1.2083 249.8716 1.6980 259.0727 0.5035 266.2504 0.9373 287.2898 0.0023 288.6906 0.2631 289.8410 0.0050 295.8048 0.6475 322.5022 1.5622 337.7118 6.3462 349.3109 8.4174 351.1567 10.0785 369.5976 2.4133 392.9988 6.5967 395.8287 2.5295 396.1902 2.0165 403.6303 1.2220 433.7702 0.7646 515.9409 0.4347 560.9761 0.7157 561.3228 1.1273 656.7847 25.9387 659.1537 11.0198 691.5366 6.6323 691.8488 7.7855 731.2721 55.9913 761.3360 4.3273 768.2951 0.8719 770.0577 1.5436 801.1706 107.1974 801.5366 36.6372 828.1605 3.1627 828.5509 3.5460 834.0820 22.3697 873.5925 92.1787 873.7629 311.8592 883.4517 316.6185 884.3231 0.1039 954.0698 8.4832 954.0957 1.1061 954.8016 4.5028 954.8515 3.2141 965.0073 0.7997 973.2809 0.0095 973.3054 0.0799 1016.6135 2.4386 1019.5945 42.4805 1040.3806 28.9121 1040.7139 1.3037 1044.7310 6.7130 1044.8489 4.6581 1073.0705 272.8726 1122.5653 169.9057 1127.1016 497.1949 1161.8545 6.1686 1224.3096 0.3018 1224.3456 0.0612 1226.2490 0.1173 1226.2668 0.0717 1248.0710 0.6913 1248.3206 0.5027 1252.8746 13.2637 1289.7213 0.1294 1327.7152 11.6312 1328.2453 57.5854 1331.2236 26.6920 1332.2303 0.1252 1333.7705 63.5984 1333.8522 5.8518 1420.2985 5.1220 1425.3747 9.7839 1426.4948 2.6560 1426.5437 0.3598 1427.2494 0.5836 1434.0873 95.7760 1457.0532 5.6027 1457.1216 1.5236 1490.4453 0.6108 1490.4737 1.1881 1492.1336 1.0145 1492.1741 0.5039 1498.6375 0.9723 1498.6473 7.0270 1503.3559 16.5331 1503.3957 0.1307 1517.3315 0.6886 1517.4103 0.4702 1517.7484 0.0249 1517.7506 0.0629 1519.9023 0.0904 1519.9101 0.0961 1530.8828 3.9866 1531.3813 0.3147 1537.7166 6.8182 1537.7244 4.6913 1539.1333 2.2383 1539.2178 1.4136 1545.7597 6.2334 1545.8065 24.9781 1761.4967 0.3711 2989.6419 9.0242 2990.0903 75.0658 3019.2045 21.7972 3019.2326 32.8887 3019.3579 47.1369 3019.3797 9.9345 3026.0455 88.6434 3026.1230 31.2122 3036.7292 71.6412 3037.4800 5.7979 3044.2561 1.2287 3044.2677 7.0562 3048.2990 4.4930 3048.3170 1.8701 3078.0707 14.3650 3078.0916 3.8308 3080.3840 7.4972 3080.4388 52.4643 3085.4510 17.0412 3085.4660 106.2902 3101.6894 21.0972 3101.6951 25.1699 3104.5906 55.2266 3104.6537 29.4396 3112.2485 66.1116 3112.2973 6.7899 3113.9085 25.3503 3113.9325 0.2328 3119.7761 29.6301 3119.7938 2.7566 3119.8171 34.2273 3119.8464 16.5437 3126.7874 7.9468 3126.8009 15.2345 3152.7457 0.1941 3156.3030 30.9134 > 0.55504 GHz 0.07832 GHz 0.07817 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$