NIST 08061409233D 1 1.00000 -874.88920 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 40 39 0 0 0 0 0 0 0 1 V2000 17.5562 0.2127 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6351 1.2559 -0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1143 2.5875 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2734 3.2552 4.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9077 1.6319 3.7054 Si 0 0 0 0 0 0 0 0 0 0 0 0 19.5189 1.0781 4.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8445 5.0287 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2691 3.6018 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3552 2.3891 1.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2149 1.8119 2.0766 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2510 -0.8135 4.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7494 -0.7040 4.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4315 0.3874 3.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8215 0.4066 4.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9926 -0.6565 -1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0666 -0.1543 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7795 0.6222 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1874 1.4814 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3632 0.8296 -0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3772 3.0025 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3207 3.5761 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1218 3.1624 5.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9979 4.0614 4.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8600 0.1447 4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4046 0.9007 5.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3036 1.8296 4.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7079 5.7040 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1125 5.4247 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3957 5.0830 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9806 3.2257 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8111 3.6306 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9661 3.3537 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4893 1.7339 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7871 -1.6032 4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 0.1240 4.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0692 -1.0504 3.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2511 -1.6566 4.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9120 -0.4930 5.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9698 1.3625 3.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2849 0.1928 2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 9 1 0 3 8 1 0 4 5 1 0 5 6 1 0 5 10 1 0 5 14 1 0 7 8 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 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 > U347573 > B3LYP/6-31G* > 1.5922 debye > -874.889195757 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.9666 0.1544 21.0970 0.8079 27.6696 0.4545 32.4391 0.0619 41.4889 0.4567 68.6972 0.0157 84.2716 0.4158 93.8127 0.2630 116.4016 0.0049 127.9167 0.1388 134.0631 0.7947 151.0812 0.0978 162.2659 3.0468 194.3468 0.3958 196.6285 0.2175 215.8438 1.9706 231.6452 1.9139 236.3180 4.3250 243.3573 1.4054 261.5492 0.3639 304.0905 0.8356 317.0847 13.7932 333.2901 1.4226 386.6554 12.7093 397.7811 9.9673 402.0899 3.9890 468.0524 0.0593 537.1929 7.4029 639.4129 8.9575 704.4962 4.3414 766.2120 15.9348 770.1804 4.6615 773.7313 3.6899 776.5273 6.6262 780.0171 6.7054 784.0295 1.4106 822.3993 106.5944 861.7055 2.9029 889.4687 1.3146 890.7217 117.5653 903.6271 191.2471 909.1138 9.4358 915.2925 73.6119 973.9176 45.3748 997.4518 2.0880 1038.9027 0.1901 1052.0948 5.1848 1062.8656 49.1481 1067.5076 3.0939 1096.9982 245.2430 1131.2650 326.3920 1145.3048 4.4775 1160.9296 77.5940 1166.2799 17.8767 1194.6839 14.9755 1200.2716 6.3899 1281.4524 0.3574 1289.1897 0.6840 1306.5111 0.3094 1308.5856 4.7098 1328.5177 1.9370 1335.6709 45.4480 1339.2932 33.1742 1344.1979 8.0292 1351.9078 6.4292 1392.0425 1.0050 1407.1161 1.4665 1415.3526 0.2856 1437.9279 15.5507 1439.7378 2.0507 1441.6640 0.7793 1445.1919 5.5710 1450.5304 21.9878 1491.0921 1.7019 1492.1879 0.0565 1498.8043 1.4282 1504.6806 8.7332 1512.7293 0.2285 1521.4278 0.6096 1522.3119 2.3276 1526.9355 2.1139 1529.3178 0.2609 1531.2470 6.3375 1534.7524 3.4844 1535.5179 7.8630 1537.4993 4.3902 1549.1428 5.9535 1556.5019 11.5987 2991.2936 26.9297 2993.4915 24.2948 3023.5022 48.4297 3026.1634 26.5242 3035.2896 1.6039 3040.8354 22.2930 3042.4435 61.0282 3042.9475 19.2799 3043.7219 26.5883 3046.3503 4.5288 3051.9644 34.1631 3054.6257 73.2634 3055.4087 6.7811 3075.8858 2.9333 3082.4647 12.0857 3084.5987 4.1460 3105.9639 21.2068 3107.3002 68.7340 3110.2438 69.6594 3111.1080 55.8264 3116.1889 70.3160 3117.6203 16.2206 3119.1116 16.1957 3119.2263 28.1131 3129.6643 17.1684 3134.2533 9.6270 > 0.70001 GHz 0.30504 GHz 0.25673 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$