NIST 07071511303D 1 1.00000 -963.75497 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 36 35 0 0 0 0 0 0 0 0999 V2000 69.4580 49.8137 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 67.6181 49.9009 -0.1280 Si 0 0 0 0 0 0 0 0 0 0 0 0 67.0239 48.4106 -0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 67.4010 50.2891 1.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 66.8461 51.0952 -0.9859 O 0 0 0 0 0 0 0 0 0 0 0 0 70.2079 51.1224 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7239 47.9160 -0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 66.3304 51.0339 2.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 66.6387 51.0770 -2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 71.7228 50.9951 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7767 47.0312 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 66.8510 51.7927 3.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7205 52.2262 -2.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 72.4552 52.2377 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 73.0157 53.2318 0.0336 N 0 0 0 0 0 0 0 0 0 0 0 0 69.6097 49.5150 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 69.8696 48.9953 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 70.0576 51.4108 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 69.8029 51.9390 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 65.0180 48.7456 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 65.3696 47.3431 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 65.9048 51.7238 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 65.5392 50.3338 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 67.6049 51.1757 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 66.2012 50.1160 -2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 71.8948 50.7072 -1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 72.1533 50.1986 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 64.7852 46.6172 1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 66.4726 46.2005 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 66.1166 47.6042 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 66.0357 52.3423 3.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 67.2862 51.1024 3.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 67.6232 52.5099 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 65.5549 52.2386 -3.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 64.7506 52.1261 -2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 66.1603 53.1842 -2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 3 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 > 1067-47-6 > B3LYP/6-31G* > 5.2498 debye > -963.754972853 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.6798 0.8276 23.0740 0.0615 31.4561 1.7300 33.5906 0.4994 44.9419 2.2875 51.8750 0.7699 55.5976 2.8057 70.7403 0.7164 77.5338 1.5502 90.3109 3.0664 103.9315 1.1463 120.5269 5.1036 152.5001 5.1812 172.3843 8.9472 211.1234 0.0191 231.7206 4.7451 255.7768 3.9098 266.0488 1.9765 271.2529 3.0493 283.5506 4.4926 301.2961 3.1739 332.2812 8.1638 382.3738 11.0584 393.3466 0.5033 408.7546 1.5537 454.7397 19.6518 474.4545 56.0683 544.6366 1.2259 654.5281 2.7022 699.4404 3.6330 765.3603 63.7596 773.0323 39.2938 812.7988 72.4864 815.6323 41.6446 821.2217 1.2545 824.5386 27.2587 828.4783 10.3656 949.0085 6.3256 951.4512 56.4096 970.2972 51.8953 977.1230 45.5968 1001.6603 63.7158 1019.8851 9.0010 1043.1700 26.9737 1102.6651 183.2286 1112.5927 330.2522 1119.4084 90.8461 1134.8199 97.4625 1137.8736 144.0464 1153.0010 223.0385 1167.3339 3.6842 1194.1881 3.4749 1200.4585 14.7725 1210.5149 41.8346 1227.6887 38.7936 1297.0620 3.5770 1324.1775 0.0094 1331.2360 0.6483 1333.3816 6.7563 1334.7196 16.0216 1347.6820 0.9257 1400.3119 6.4670 1419.9633 6.7476 1421.3649 8.5084 1423.9200 3.9879 1445.1808 25.1307 1448.0170 24.5799 1450.1000 31.9308 1487.5167 5.9562 1499.3227 5.5591 1514.0781 4.8618 1514.3519 5.3989 1514.7485 2.7844 1528.0498 1.3552 1528.7840 1.0077 1529.2691 0.8661 1531.6430 5.6074 1553.0447 0.3992 1554.6634 1.4556 1556.4543 0.7221 2367.4451 11.3366 3013.3212 45.8620 3023.2118 20.0132 3027.4802 72.0536 3032.2027 12.3645 3049.7597 2.9757 3053.4534 39.9813 3054.2532 11.5275 3055.4293 18.9933 3057.0149 18.6990 3066.0476 14.8968 3070.7559 16.0707 3074.7188 36.4591 3084.2128 15.4635 3084.5425 0.0435 3114.7830 26.6778 3123.9167 25.8443 3124.9935 38.7843 3126.9766 31.9278 3135.2739 23.1017 3135.5221 45.0778 3137.0415 34.4557 > 0.55809 GHz 0.27146 GHz 0.25189 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$