NIST 07161414123D 1 1.00000 -1073.68582 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 33 32 0 0 0 0 0 0 0 0999 V2000 2.1935 0.8788 -0.0056 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7915 0.5940 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 -0.4319 1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 -1.2502 1.5728 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.1943 -0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 1.3119 -1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9619 2.2519 -1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 1.1959 -2.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.3160 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 0.6558 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 -0.3971 -1.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 -0.2679 2.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7941 -1.2331 3.8266 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -3.0334 3.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 -0.5282 4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -0.9390 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6928 1.3575 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3885 1.5311 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2115 -0.7509 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1153 0.0561 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 0.4587 -2.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 1.2061 -1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 1.2474 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -0.2787 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1573 -3.6547 4.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -3.4069 2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 -3.1693 2.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 -1.0390 5.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 0.5398 4.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2174 -0.6492 3.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -1.2867 4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 -1.4769 5.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 0.1250 5.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 2 1 1 0 9 10 1 0 2 3 1 0 9 11 2 0 3 4 2 0 3 12 1 0 2 5 1 0 12 13 1 0 6 7 2 0 13 14 1 0 6 8 1 0 13 15 1 0 5 6 1 0 13 16 1 0 1 17 1 0 2 18 1 0 5 19 1 0 5 20 1 0 8 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 14 25 1 0 14 26 1 0 14 27 1 0 15 28 1 0 15 29 1 0 15 30 1 0 16 31 1 0 16 32 1 0 16 33 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. > 2014-07-16 > R401246 > B3LYP/6-31G* > 7.9471 debye > -1073.68581705 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.6451 0.3104 20.7761 1.5824 41.7339 6.0279 48.1707 0.6721 63.4901 0.6085 74.1176 3.2140 81.0940 0.3671 96.0720 1.8292 126.5664 2.9633 128.6312 6.6517 137.8761 0.1718 155.0437 0.0129 165.3211 2.6757 188.0989 5.9767 194.1501 0.8471 200.3632 5.6809 216.2999 7.6310 236.3632 2.8252 260.0273 14.3346 268.1086 7.3075 292.2379 2.4320 345.8146 6.9111 424.3942 8.9615 454.0916 24.8210 471.3687 13.3396 554.5488 86.9443 573.1293 4.8945 596.1135 11.8843 621.6542 19.1545 636.3569 14.8623 677.5300 23.3837 701.7908 8.9306 702.6010 4.7722 709.2045 0.2282 731.1868 64.3070 744.6734 4.2879 768.9938 11.3139 791.4503 23.3822 812.6493 37.1599 817.7290 179.3442 880.8866 22.4639 890.3618 29.3741 896.4906 199.9113 897.8275 111.3807 912.5578 156.0857 934.2409 6.0410 979.0623 33.3596 1029.1953 9.7941 1061.3408 14.0689 1070.2486 8.4146 1155.9709 16.5914 1192.7297 91.3934 1261.0454 255.3391 1300.1033 32.5979 1313.6386 221.8814 1319.5799 104.4649 1330.1758 45.9989 1332.4246 44.3468 1340.8780 35.2228 1384.8295 87.9471 1385.9697 18.5180 1422.6550 280.1895 1428.5868 17.5302 1480.4074 0.0044 1490.3285 1.9664 1491.8432 0.9424 1492.1195 6.2154 1498.1362 7.8721 1499.1055 1.4097 1506.2794 15.1184 1510.3863 13.5591 1516.1403 18.7233 1585.0693 201.4746 1743.6785 222.4846 1808.5405 208.6107 1864.4728 301.2148 3039.1786 8.6073 3046.9159 1.7858 3048.7571 3.3822 3050.5895 4.4885 3069.5072 4.4860 3116.1664 3.1071 3116.5407 3.0640 3119.7776 27.8735 3122.7966 1.3480 3125.3249 12.7864 3143.9391 2.9386 3144.0153 4.8032 3145.5113 5.5650 3149.1891 13.1538 3177.2232 2.5208 3471.7421 379.4156 3627.1340 25.1208 > 0.76341 GHz 0.25558 GHz 0.21785 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$