NIST 06261414063D 1 1.00000 -874.89742 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 0999 V2000 104.0799 40.3532 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 102.6982 40.6026 0.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 104.9330 41.4661 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 99.9036 40.7367 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 101.4301 39.7894 -0.6538 Si 0 0 0 0 0 0 0 0 0 0 0 0 101.6278 39.7348 -2.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 101.0193 37.6844 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 101.3626 38.1903 -0.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 100.2264 36.3822 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 102.2815 37.5271 1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 100.9739 35.2522 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 100.0875 34.0267 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 104.7341 41.5524 1.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 106.4095 41.2606 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 104.3670 39.3826 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 104.2697 40.3005 -1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 104.5911 42.4111 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 98.9883 40.2684 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 99.8246 40.7959 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 99.9395 41.7642 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 100.7450 39.2822 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 102.4959 39.1369 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 101.7504 40.7411 -2.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 100.3539 38.4032 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 99.8964 36.0378 1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 99.3158 36.6252 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 102.0388 37.0942 2.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 102.7540 38.5007 2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 103.0070 36.8750 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 101.3561 35.6330 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 101.8502 34.9487 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 100.6404 33.2314 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 99.7077 33.6121 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 99.2197 34.2823 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 105.3032 42.3881 2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 103.6782 41.6946 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 105.0784 40.6322 2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 107.0285 42.0676 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 106.5587 41.2412 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 106.7909 40.3150 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 5 1 0 3 13 1 0 3 14 1 0 4 5 1 0 5 6 1 0 5 8 1 0 7 8 1 0 7 9 1 0 7 10 1 0 9 11 1 0 11 12 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 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. > 2014-06-26 > U346855 > B3LYP/6-31G* > 0.1251 debye > -874.897420755 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.8115 0.0077 22.3430 0.0287 41.3560 0.2338 51.4893 0.7819 75.0275 0.4795 84.5888 0.0320 87.6790 0.7763 115.0156 0.1847 119.8059 1.0226 138.5915 0.7843 142.9380 0.6367 182.5664 0.7767 190.5235 0.3426 196.4598 3.2293 217.3332 3.2067 220.4633 0.3829 233.2554 1.1699 249.4395 0.7122 255.6983 0.0420 265.1909 0.2280 303.8118 1.2229 333.7520 5.0910 345.7961 3.5392 350.9362 11.0130 381.0820 10.5392 427.1825 0.4829 433.9787 1.8425 463.3662 18.6500 580.9391 2.0087 646.1525 6.3235 697.3807 4.3693 727.4916 13.6399 761.5495 0.3693 780.9031 0.2336 782.5170 11.8138 816.7076 74.9512 837.4100 20.0125 844.0831 20.6084 876.9971 36.2404 890.0154 90.3499 897.5507 123.1468 928.9633 52.2291 935.4291 66.9912 945.3035 4.7754 969.8911 5.8960 980.0503 2.8381 989.6996 34.3056 1044.6368 7.6997 1055.4217 2.6679 1063.1620 324.6743 1115.3513 375.5346 1157.0640 7.3443 1158.5446 3.4507 1171.5012 59.0107 1187.7256 22.4685 1196.4933 0.5582 1211.3991 0.3968 1286.5810 1.7765 1300.6777 0.5249 1333.6559 48.7001 1336.4123 5.2135 1338.1925 32.9826 1345.4594 8.1173 1348.4009 0.7661 1388.1644 16.7325 1393.6837 1.2319 1407.8608 20.3665 1425.2053 5.0295 1429.1965 9.9213 1433.2726 2.5363 1437.8691 5.0047 1442.7460 6.0439 1452.0548 17.6570 1490.3349 1.2435 1491.3984 2.2177 1497.9321 0.8785 1504.0337 5.3464 1506.3377 7.3925 1519.0007 1.7870 1519.6051 1.4020 1521.7487 2.6941 1524.7034 1.4814 1529.3195 6.6575 1534.0333 3.6499 1534.7138 3.1395 1540.8016 3.5169 1541.3538 4.6550 1545.6032 12.0801 2999.6031 26.6452 3002.6248 31.5689 3023.8521 7.8611 3027.8896 33.8859 3036.6096 19.0990 3038.9390 38.4409 3040.7375 16.4935 3044.2337 23.4710 3044.5325 63.8806 3050.0490 7.3768 3051.8593 3.6987 3055.1241 10.3135 3062.2982 33.3335 3085.4214 1.6177 3097.9756 15.3093 3103.4143 66.4334 3108.7384 40.6540 3109.3222 75.2162 3113.7195 44.8191 3122.4024 29.3733 3122.4900 2.4108 3125.2980 29.1932 3126.1159 11.4292 3126.3218 15.9605 3135.5963 23.7029 3136.7860 26.6443 > 0.82095 GHz 0.27806 GHz 0.24824 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$