NIST 07071509393D 1 1.00000 -1057.41533 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 33 33 0 0 0 0 0 0 0 0999 V2000 5.3536 2.9119 0.4762 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3179 2.0297 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 2.2182 0.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7945 0.8383 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 4.3701 1.3511 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 -0.2166 -0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4311 0.7558 -0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4067 3.9406 3.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8202 5.4702 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 5.1261 1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0033 -0.1981 -0.7753 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -1.2973 -1.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 -0.3237 -1.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4674 -0.3774 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 -1.3522 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 -0.0765 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 -0.7294 1.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 1.5618 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5670 4.8475 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7301 3.2876 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3653 3.4244 2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9808 6.4319 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3854 5.6804 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 4.9959 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 4.4610 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 6.0778 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 5.3246 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8127 -2.0849 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -0.3609 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3869 -2.1995 -2.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0656 1.0090 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3515 -0.4326 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 -0.5335 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 7 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 13 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 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. > 2015-07-07 > 25436-28-6 > B3LYP/6-31G* > 1.9523 debye > -1057.41533471 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 19.0239 0.8558 34.5271 0.7862 57.3253 0.3837 68.6295 0.9412 92.8004 6.1422 98.5884 3.2144 106.0837 0.0661 121.4411 0.0304 130.6693 0.0594 141.8214 0.4206 145.0204 0.0066 152.6131 0.0289 164.2628 0.4573 180.9371 0.6254 196.7542 0.0481 230.5315 1.4045 263.6603 2.8538 269.8878 20.6076 294.1547 7.2656 299.0166 3.5436 320.5015 5.4268 426.7774 3.5256 449.1697 0.2207 488.2370 3.5755 524.6241 6.7920 558.9463 5.8591 576.8276 8.3467 606.1515 2.0429 659.2182 9.2218 679.4215 6.9395 700.5491 7.5946 702.4770 11.9359 708.7733 11.5970 711.9290 0.1454 746.7681 54.3049 761.9413 27.4311 782.5609 22.8343 791.3059 36.8168 808.1003 0.4782 825.1633 16.3455 857.8645 12.7076 893.5705 3.0386 896.5589 170.8934 896.9852 125.3938 909.8243 288.3366 930.8119 44.7399 968.7177 4.0597 993.7352 0.0654 1029.5651 65.0870 1071.4051 15.7425 1072.8166 2.8755 1104.6551 188.0114 1167.4114 49.6114 1193.8475 33.7318 1226.4595 501.3769 1252.1657 2.7302 1300.6356 173.6494 1307.4399 431.5009 1329.7989 45.1110 1331.8536 61.6629 1339.1884 39.6318 1359.3083 48.7168 1418.5910 71.1479 1482.1432 0.0784 1491.5692 0.8356 1492.6201 0.9367 1493.4311 5.2645 1494.2201 19.2610 1500.2134 1.1497 1501.4358 12.0089 1505.4602 7.2276 1511.9554 14.5077 1527.6358 38.5743 1631.4352 18.2586 1662.0080 38.4227 1764.9534 276.3158 1866.1306 194.2325 3045.7037 2.1642 3047.6058 4.9190 3050.1010 7.1276 3076.4989 1.8785 3114.1525 5.2228 3116.0226 1.7542 3118.6129 33.7721 3125.4256 13.4738 3144.7413 7.9450 3144.8237 1.6523 3147.5860 6.5611 3182.4604 8.6418 3194.4631 2.9679 3209.7798 19.0059 3222.9149 9.4366 3244.1903 2.7933 > 0.60851 GHz 0.29407 GHz 0.22216 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$