NIST 07021513153D 1 1.00000 -1797.63672 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 54 53 0 0 0 0 0 0 0 0999 V2000 2.4183 2.3537 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 1.8460 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 2.8389 -0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 0.6987 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 1.4433 1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 3.4564 1.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2046 4.0604 0.1088 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 4.1024 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 5.7207 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 3.6711 1.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 1.3550 -1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4407 1.5959 2.5922 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 -0.0676 2.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 1.8357 4.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 3.0082 2.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.0335 -0.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 0.5281 1.6489 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 -1.2970 -0.0426 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 -2.6399 0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5372 -1.9018 -1.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4093 -0.5562 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7183 2.4410 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4239 4.9044 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 3.1561 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 4.2751 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 6.5355 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 5.7437 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 5.9221 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2061 2.6945 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 4.4300 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 3.6730 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 1.0008 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9811 0.4953 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1617 -0.1263 3.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -0.2375 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -0.8879 2.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 1.7347 5.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 2.8245 4.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 1.0863 4.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 3.9574 2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3527 2.8472 1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 3.1003 3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7467 -3.4802 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 -2.2543 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -3.0315 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2665 -2.7156 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0082 -1.0956 -2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6912 -2.2787 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8878 0.2555 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 -0.1538 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 -1.3151 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 2.0597 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 2.7692 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 3.3151 -2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 1 5 1 0 1 6 2 0 3 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 2 11 1 0 5 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 4 16 1 0 4 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 11 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 15 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 22 54 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 > R101649 > B3LYP/6-31G* > 2.5384 debye > -1797.63671752 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 12.6031 0.1867 26.8568 0.3733 28.6989 0.5531 33.7800 0.0706 37.5093 0.4258 48.7727 0.2759 61.3963 0.5752 76.0521 0.8998 88.0695 0.5261 93.0867 0.3629 110.6399 0.5374 119.0762 3.3462 125.0976 0.1835 128.1994 0.0868 129.4122 0.1762 134.0767 0.2491 137.5357 0.3709 139.7867 0.1327 141.8817 0.0448 143.7987 0.0393 147.2374 0.4311 151.1510 0.0524 156.1472 0.3113 166.1344 0.2715 167.7426 0.0793 172.8066 0.3093 188.6047 0.9073 191.2936 1.8833 193.8478 1.2650 199.3705 2.2194 206.4549 0.2016 213.3903 3.2529 226.8374 0.7620 228.8912 0.9713 231.6215 7.1580 245.0115 5.7059 251.7801 14.6527 277.1320 15.8083 283.2069 6.0632 292.7049 5.0005 305.1654 25.8245 324.9269 10.0915 360.4711 3.8831 389.3747 4.4101 454.4601 15.0031 519.0597 6.9526 592.9491 3.6631 597.3170 2.4173 609.9167 3.6588 668.0147 20.1014 684.7807 20.7539 689.3483 12.0565 692.6733 17.9882 700.7921 7.1442 701.0721 8.6658 702.6765 5.4413 702.9461 5.0708 704.2976 0.0635 712.3853 0.6033 712.6410 0.3496 738.7573 104.1530 741.7107 32.6558 758.5174 13.8564 777.2951 8.1889 784.3181 26.6778 787.9025 0.6368 792.7648 9.4051 795.1328 44.1524 798.7569 57.0950 818.3670 8.3114 832.7472 25.7374 870.6113 9.9016 887.5376 171.7320 889.9244 127.8631 894.3737 213.0177 896.9209 141.3671 897.5742 98.1343 898.4990 132.4459 903.0740 184.5693 905.3506 391.5488 930.0208 37.9479 980.6039 30.4267 1007.9022 49.5381 1075.0563 128.0631 1117.1547 69.8502 1168.6345 118.8766 1189.6487 403.7868 1287.3509 279.3402 1308.5763 368.7954 1321.3877 33.3295 1327.8075 18.1693 1328.8338 46.5012 1329.7820 29.0833 1331.9562 42.9846 1332.0708 36.8242 1335.1237 55.2256 1339.4844 31.8240 1340.0723 26.0859 1350.3697 32.1722 1387.8233 20.6143 1435.9866 4.6797 1480.1944 0.0937 1480.9557 0.0250 1482.7253 0.4299 1490.1428 0.5803 1490.4156 0.6075 1490.6945 1.4665 1491.3821 1.0927 1491.6863 3.4554 1492.2771 0.6494 1492.5724 2.9658 1493.2945 6.8527 1495.5652 0.8402 1499.1133 1.6773 1499.8157 1.7348 1503.4278 0.6238 1507.3279 3.1863 1510.3327 18.9727 1511.2784 15.6845 1513.5432 14.8111 1528.8973 2.5164 1534.6350 2.1495 1775.6275 194.1010 1799.6353 232.0009 3040.2311 4.8500 3043.6940 8.4764 3046.6454 1.7173 3046.7048 2.0749 3047.4448 4.0186 3047.5174 12.3716 3047.8146 4.1123 3049.5629 6.1315 3051.0593 5.8365 3055.3048 24.5645 3080.8021 12.0922 3107.1746 9.3298 3111.3047 18.2908 3112.0745 19.9039 3114.8214 11.4026 3114.9303 5.6337 3115.8088 5.6473 3116.8136 28.0249 3118.5631 21.1332 3118.9667 12.7266 3119.8385 25.8443 3122.7005 21.4936 3126.9266 11.9430 3127.2694 10.5612 3129.3022 17.1372 3141.0306 7.0980 3141.0516 2.8335 3143.4185 28.9263 3144.8087 6.7992 3144.8143 6.0886 3149.9056 4.8331 3152.3698 9.3791 > 0.24729 GHz 0.17225 GHz 0.12929 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$