NIST 06291410023D 1 1.00000 -1027.23821 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 44 44 0 0 0 0 0 0 0 0999 V2000 1.4019 -2.7024 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 -0.8618 0.6030 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1338 -2.8617 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 -3.1611 -0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 -3.5942 1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 3.9110 -2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1488 3.0273 -1.3746 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5713 0.0408 2.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 1.5509 2.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -0.1545 2.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5397 -0.4397 3.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1952 2.1064 -1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 1.2562 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 1.9668 -1.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 0.1506 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 0.9881 -1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 0.2896 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 -0.8485 0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 -0.0957 -0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 -3.9064 0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 -2.6019 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6096 -2.2404 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 -4.2065 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 -3.0954 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5279 -2.5606 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 -3.4905 1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -3.3597 2.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7925 -4.6521 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7397 4.5528 -2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 3.3695 -3.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 4.5336 -2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6386 2.1104 2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8342 1.7618 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 1.9565 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0811 0.4755 3.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -1.1907 3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6137 0.1287 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3957 -1.4976 3.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 -0.3048 3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.1363 4.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4941 1.3716 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 2.6042 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0972 0.8775 -1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 -0.3747 1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 2 8 1 0 2 18 1 0 6 7 1 0 7 12 1 0 8 9 1 0 8 10 1 0 8 11 1 0 15 18 1 0 12 13 1 0 13 17 2 0 17 15 1 0 15 16 2 0 16 14 1 0 12 14 2 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 6 31 1 0 9 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 17 44 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. > 2014-06-29 > U307942 > B3LYP/6-31G* > 1.4242 debye > -1027.23820973 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.8132 0.5047 25.8137 0.1958 33.9208 0.0180 41.4103 0.3031 67.7167 0.9258 84.2914 2.0588 116.8947 0.0132 133.6665 0.6009 151.3041 0.7257 176.6480 2.6857 208.7492 0.0252 224.5520 0.7088 232.6463 0.3766 240.1741 0.5614 243.0929 0.6861 245.7834 0.0765 252.1409 0.0702 276.3459 0.0942 280.2901 3.3520 285.8130 0.2631 299.1042 0.0917 312.7743 0.9164 351.4712 1.0049 359.1355 1.4340 373.9956 1.6094 377.0581 0.3050 383.5882 1.0163 401.8122 3.9648 417.6145 10.2855 432.6535 0.3257 439.9082 5.4742 472.1090 7.1889 519.2377 15.5294 536.6719 3.8745 569.6522 6.4011 622.6003 14.6627 642.7002 2.0493 685.7258 5.9172 713.5966 0.3141 807.5910 3.9560 813.4913 4.1298 825.6261 3.0465 829.8245 24.4926 834.4902 174.8444 846.3954 154.9741 848.8629 127.4969 924.1837 34.4256 934.4409 281.4332 950.0004 8.4200 951.9153 4.2160 953.0708 3.6442 960.1103 2.7779 960.6074 9.0306 975.8794 0.0993 976.9159 0.1516 1029.2716 5.1991 1036.9192 8.5682 1045.8755 11.6100 1047.9981 10.2328 1050.3948 3.5963 1082.5570 69.3082 1134.1815 13.0053 1186.7132 0.7606 1197.8291 1.2782 1217.4457 1.6264 1218.5721 17.6750 1223.2183 3.0194 1228.9773 1.0904 1230.2835 11.9026 1243.4727 16.1020 1248.6481 6.2847 1272.8796 655.8516 1302.4516 15.1767 1332.7280 4.9870 1352.3152 17.7627 1423.6947 0.8395 1426.4339 0.0359 1430.0006 0.3858 1431.5555 6.4736 1456.1894 5.2756 1462.2932 3.5029 1466.4948 2.0254 1500.3720 44.4448 1510.2149 0.3891 1513.3820 2.3258 1515.3347 0.2014 1518.7900 0.5576 1519.3492 3.1071 1520.7240 5.1181 1521.1956 3.5293 1533.5802 5.3765 1534.7759 1.9175 1535.6412 75.9747 1538.7971 8.9934 1542.9886 3.5544 1544.8505 22.3730 1548.8268 10.1985 1560.4351 338.9766 1633.7549 7.2329 1674.9083 4.0545 2182.3622 135.1874 3019.2730 61.2079 3021.6067 18.2197 3022.5361 19.7573 3023.7953 11.9496 3024.3103 49.5771 3029.3655 101.4617 3031.5935 38.6068 3075.3659 46.8528 3080.3411 23.2498 3083.0441 10.1315 3085.8429 8.2641 3088.0931 47.7596 3089.0626 86.5157 3096.0038 19.5929 3109.9528 25.8798 3114.5441 15.0053 3116.0161 15.2032 3121.8892 13.2921 3124.1946 60.0661 3127.7317 26.7354 3153.3667 30.9300 3203.1418 15.6565 3207.1656 8.3223 3218.3940 8.0301 3225.6599 7.6252 > 0.69184 GHz 0.18588 GHz 0.16922 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$