NIST 08061409233D 1 1.00000 -1113.87479 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 37 37 0 0 0 0 0 0 0 0999 V2000 3.1661 1.5528 1.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 0.2926 2.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 2.1636 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7661 -0.3493 2.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.9334 0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 -1.4381 0.6963 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -1.8111 1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8382 1.5299 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6551 0.2509 1.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 -0.3966 1.8774 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 2.2551 0.6912 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 2.2333 -4.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 1.6311 -3.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 0.7247 -2.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 0.1245 -1.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1534 -0.7257 -0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 3.0186 -0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 2.0883 1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 2.0536 1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 -0.1958 3.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 3.1355 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.3305 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 -2.6454 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 -3.6398 -0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 -3.4593 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -0.8930 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4186 -2.4875 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 -2.2861 2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 2.8765 -5.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 2.8404 -4.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7903 1.4489 -5.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5316 1.0599 -3.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 2.4411 -2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 1.2978 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2949 -0.0923 -3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 -0.4719 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 0.9227 -0.6770 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 16 1 0 8 11 1 0 9 10 1 0 11 17 2 0 11 18 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 1 2 1 0 2 4 2 0 4 9 1 0 9 8 2 0 8 3 1 0 1 3 2 0 1 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 12 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 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. > 2014-08-06 > U347229 > B3LYP/6-31G* > 3.3379 debye > -1113.87479174 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 10.2300 0.7255 26.6490 0.8795 44.0313 1.1082 49.4044 0.5755 62.8122 1.2527 68.8811 0.0953 87.5797 0.0273 115.0243 0.4361 123.2490 0.0678 130.2163 0.5845 139.6480 0.0173 150.9573 0.5768 159.9550 0.6867 175.6505 2.0184 182.2321 2.7102 214.0114 0.6566 229.6847 6.3621 245.9212 7.4197 259.7361 0.5967 317.7320 5.8038 331.2510 19.3828 355.2809 4.8310 374.0841 3.9393 402.4363 4.6245 432.3535 4.6348 451.5978 3.1062 507.5094 16.4704 553.4676 3.8664 579.0329 1.6008 631.3442 2.8406 669.0934 8.4088 705.0858 2.8462 708.3103 10.9853 723.3624 26.0109 755.4947 6.2850 765.8072 44.6310 782.5879 4.9428 784.4176 2.8297 794.8782 9.4836 824.0920 5.9297 826.7537 102.1266 853.0392 12.3787 873.8671 130.8167 880.0669 9.8221 900.5598 107.7667 925.4071 72.4006 933.0869 246.4658 961.7514 7.7377 967.5884 0.1444 987.4893 0.2929 1031.1961 18.7097 1067.6525 5.8415 1074.3906 0.0378 1112.4712 380.0238 1114.7776 21.1260 1147.6047 5.5765 1172.4762 18.3914 1193.7576 3.8235 1205.6603 3.2117 1273.0781 0.5649 1282.7940 23.6729 1310.4720 43.4039 1311.9198 154.9186 1335.4221 54.9876 1339.3582 56.8599 1342.7011 0.3540 1347.6094 2.3316 1361.1354 22.6373 1402.0549 288.9343 1408.2632 4.8874 1441.9913 4.9889 1452.1002 24.9055 1487.6928 1.6459 1488.9992 1.2923 1491.8117 6.2123 1495.5078 2.0680 1499.9184 10.1143 1518.6293 1.8822 1525.3308 112.7518 1526.2132 15.8356 1531.3541 5.6281 1539.8356 3.8161 1552.0418 23.1904 1609.2924 92.1137 1633.0882 74.5853 1665.8185 158.0280 3020.9804 9.1426 3026.6393 54.1523 3040.9983 18.1554 3044.6943 41.4940 3050.9069 1.9501 3053.4723 2.0750 3056.9722 14.1774 3076.6617 3.0670 3099.1389 21.2247 3110.4022 70.2180 3114.0458 52.8670 3124.7765 0.9443 3127.4185 22.4757 3128.4193 11.1136 3133.5041 7.1536 3196.9381 5.2983 3215.4991 12.9982 3222.1512 7.4950 3242.5636 1.7272 > 0.46789 GHz 0.28345 GHz 0.20903 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$