NIST 07091403413D 1 1.00000 -760.32265 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 0.4722 0.6620 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 1.3088 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 0.3517 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3416 1.2487 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 0.4673 -0.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 1.0943 0.0436 Si 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 2.0651 1.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2159 -0.4070 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3944 2.2188 -1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 1.7024 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0844 -0.4955 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1138 -0.5689 -1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3686 -0.0297 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 0.0581 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 2.0016 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 1.9337 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 1.8800 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 1.9182 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3817 2.4424 1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6843 2.9309 1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1796 1.4326 2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2713 -0.1101 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 -0.9843 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0301 -1.0753 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 1.6787 -2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7277 3.0894 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4242 2.5977 -1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 1.2255 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 2.3946 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 2.3015 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 -1.0768 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -1.1958 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 0.1395 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 0.0142 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 -1.1575 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2681 -1.2651 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 1 10 1 0 3 11 1 0 3 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 4 17 1 0 4 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 12 36 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. > 2014-07-09 > R119378 > B3LYP/6-31G* > 0.9186 debye > -760.322650964 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 10.4518 0.0010 25.7946 0.2788 60.1512 0.0474 68.7646 0.1251 94.7635 0.3134 121.3923 0.3041 129.7871 0.2510 140.9003 0.3811 145.7363 0.0114 150.7566 0.1792 173.0424 1.4376 193.1224 0.1699 197.2582 0.1641 242.0800 0.0262 257.1619 0.6048 258.2897 0.4006 263.4673 0.6167 285.4113 13.8570 293.6305 2.1000 319.4963 0.4447 331.5238 0.0776 346.1888 4.1104 417.5149 0.0736 424.0299 3.0337 560.4179 0.8689 610.4981 2.2592 682.4469 9.4589 692.5636 5.7002 695.0455 0.5074 752.9730 2.4910 756.3297 1.6497 774.1274 24.7746 784.2415 16.7123 798.8326 16.5783 878.6670 6.2108 879.3207 53.9239 885.0719 103.6014 889.4463 74.4608 924.7551 262.3039 939.6956 0.1207 946.1868 13.6564 973.7448 1.0788 1009.8055 5.3297 1027.6523 0.3817 1058.5092 6.7111 1105.5301 215.1213 1118.5021 0.8980 1130.5156 178.1011 1229.0938 6.6864 1236.9669 0.1020 1271.7757 8.0275 1287.8347 0.0447 1326.2313 37.4836 1329.1744 39.3182 1332.4278 3.4996 1338.4861 25.6005 1345.7831 0.5186 1377.6249 0.0674 1418.8047 0.2182 1425.8869 7.5259 1427.0930 7.7459 1441.5756 1.0524 1456.8714 14.2013 1485.7159 0.1343 1490.4149 0.3559 1491.7014 0.2096 1498.2981 2.1662 1499.4973 3.5157 1508.7141 4.9580 1510.9333 4.0260 1515.2842 0.0256 1524.4700 1.9953 1528.4964 8.0928 1528.7702 2.9390 1531.8765 3.8607 1539.8243 0.0237 1544.1178 1.1987 1548.5892 16.6371 2986.4199 25.8802 3004.3231 41.7286 3022.1906 12.4187 3036.0911 21.6443 3040.0475 6.1694 3040.2865 28.1914 3041.5549 4.4843 3042.4041 59.2938 3043.9031 32.2618 3046.6453 3.5165 3049.0433 9.4424 3077.0482 21.5701 3106.0145 68.3099 3108.8326 6.6509 3109.0918 7.1924 3109.9424 3.4225 3111.4285 75.2088 3111.9082 52.8623 3116.3698 12.9107 3116.8754 7.8479 3118.8408 31.7802 3124.9402 14.8917 3133.2532 2.4798 3137.4439 47.9231 > 1.58683 GHz 0.30887 GHz 0.30243 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$