NIST 08011418463D 1 1.00000 -948.88853 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 39 39 0 0 0 0 0 0 0 0999 V2000 -4.2314 0.0761 -1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9456 0.9078 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 0.3778 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 0.4751 0.6824 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 -0.3473 1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2947 0.7438 -0.2895 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 0.9674 -1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 0.8291 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 -0.2507 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 0.0592 -0.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 6.5452 2.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 5.2859 2.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9684 4.3135 1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 3.0625 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 2.2134 0.3796 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0195 -0.9930 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 0.3504 -2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1908 1.9463 -1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 0.5352 -2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1842 1.3278 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2357 -0.4040 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 -0.5118 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 0.0929 1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 -1.3287 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8771 1.5570 -2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 1.4849 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 0.0001 -2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 1.7904 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0041 -0.3604 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6478 -1.2135 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 7.2227 3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 7.0971 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1899 6.2921 3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 4.7738 3.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 5.5759 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5895 4.8124 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 4.0042 2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1075 2.5341 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 3.3469 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 6 7 1 0 6 10 1 0 6 15 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 8 2 1 0 2 1 1 0 1 3 1 0 3 4 1 0 8 4 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 5 23 1 0 5 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 11 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 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. > 2014-08-01 > U347826 > B3LYP/6-31G* > 1.0569 debye > -948.888531124 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.0269 0.1587 23.4384 0.3091 29.5006 0.7928 38.0607 0.8237 56.0635 0.6794 67.1449 0.8584 80.1435 0.1031 109.2664 0.1993 117.6819 0.7167 127.2779 0.1556 142.0971 0.5622 145.5010 2.5469 162.6489 0.2298 172.6925 0.6255 212.6217 0.8679 223.7695 2.4350 240.2624 0.5153 251.6719 0.0815 283.0231 6.8985 301.8982 8.7971 329.1662 13.9325 374.3392 15.0941 410.2413 3.4311 429.8677 4.2376 450.9291 10.4062 601.1239 1.9379 618.1416 1.0663 693.5443 4.8511 704.9578 7.1188 751.7326 2.7133 764.3795 0.6831 770.1603 12.0547 781.0992 27.1087 811.7277 83.5782 821.1644 8.4877 830.7015 29.5899 885.5229 47.2428 892.3663 140.4750 901.4961 16.3897 904.8778 151.8384 924.5914 53.2821 934.0721 5.5006 955.8179 23.6701 963.9969 0.0180 1006.8319 3.6208 1014.5015 1.1162 1028.4469 23.9743 1072.9177 0.3011 1099.1252 121.2356 1112.0748 292.7292 1117.9954 291.7787 1136.7059 237.0923 1146.6229 6.9983 1178.1085 4.2339 1202.2457 1.5266 1209.6322 11.6329 1221.5744 11.0584 1268.8250 0.4132 1269.9261 18.9072 1293.9248 3.9722 1307.8589 2.6699 1329.9810 2.0894 1332.1997 47.3985 1337.6471 35.6581 1340.1983 1.9004 1340.7921 2.0534 1341.4687 4.7051 1359.3833 4.6531 1392.6933 6.2984 1406.7511 0.4893 1412.1832 10.3688 1435.5597 5.4374 1440.3969 7.0432 1447.4223 23.9678 1488.9973 0.0808 1491.2574 0.8359 1498.8349 4.1235 1501.9373 5.5522 1517.7175 2.1459 1517.9097 1.0528 1524.6285 0.4725 1529.4122 6.0889 1530.1670 6.1007 1538.4711 5.1762 1539.9117 1.5479 1551.1012 3.5532 1557.6920 1.7449 2990.2951 49.8561 2992.6503 81.5378 3023.2932 24.0868 3024.2409 29.0514 3033.9191 37.5149 3041.3292 22.7219 3044.9989 5.7163 3045.6495 50.9345 3049.5921 5.2430 3049.6594 5.2742 3055.9434 7.9365 3063.2177 11.5069 3071.6045 21.9585 3084.4668 91.6470 3087.0819 36.4898 3094.6917 50.4981 3110.2412 64.9515 3113.6407 43.1157 3114.4359 10.4030 3115.2990 30.1768 3119.1733 16.3100 3121.1737 19.9646 3128.9369 28.8166 3130.3221 9.8857 > 0.56887 GHz 0.25955 GHz 0.19930 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$