NIST 08031400393D 1 1.00000 -1045.28674 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 45 46 0 0 0 0 0 0 0 0999 V2000 6.1507 1.8674 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5752 0.5149 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1253 2.9922 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 2.1536 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9328 0.1981 -0.6426 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5882 -0.4868 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0897 4.0530 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0748 3.0474 0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7906 -1.3387 -0.8120 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 1.1522 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.1745 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9699 5.1299 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9585 4.1222 0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9102 5.1674 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6508 -0.8548 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4412 -2.4601 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -2.2393 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5040 -2.1409 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9432 0.0117 -2.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0646 -0.0702 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 3.1926 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 1.0244 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8887 -1.5252 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3672 4.0218 -2.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0996 2.2514 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 1.4033 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 -0.9776 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9243 5.9385 -1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6768 4.1484 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5976 6.0048 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -3.4550 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3646 -2.5968 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8469 -2.0372 1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2197 -2.5175 -2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4399 -1.6117 -3.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8568 -3.1623 -2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5722 -1.8853 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3656 -2.7831 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -2.7359 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0094 0.2788 -2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3749 0.9497 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7071 -0.5159 -3.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8880 -0.6458 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 0.1677 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5268 0.8808 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 2 5 1 0 5 9 1 0 9 15 1 0 9 16 1 0 9 17 1 0 15 18 1 0 15 19 1 0 15 20 1 0 1 2 1 0 2 6 2 0 6 11 1 0 11 10 2 0 10 4 1 0 1 4 2 0 3 7 1 0 7 12 2 0 12 14 1 0 14 13 2 0 13 8 1 0 3 8 2 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 16 31 1 0 16 32 1 0 16 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 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. > 2014-08-03 > U334008 > B3LYP/6-31G* > 1.4493 debye > -1045.28674017 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 26.9667 0.0796 33.7196 0.0180 39.5442 0.0759 51.1020 0.0612 64.3525 0.1964 90.2473 0.1830 101.2013 0.0572 121.6620 0.0830 136.8791 0.1328 154.0542 0.3055 173.8726 0.1086 183.8374 1.5501 187.6377 0.0767 221.7713 1.1135 224.1313 1.4042 241.6371 0.1460 251.6755 0.6410 281.0342 2.2774 286.6494 3.1495 298.6979 0.5797 307.7369 1.3526 311.9198 2.5343 339.0478 2.0011 364.7005 5.4848 394.3330 0.9979 396.2054 1.3910 416.5295 1.0365 423.4625 17.9624 487.5069 32.9465 508.6920 7.3861 549.6409 4.1685 568.1568 4.8948 573.2878 0.0627 591.0661 3.7406 629.4990 2.5694 635.6352 1.1594 650.8125 17.2197 689.3737 11.0896 719.8705 24.3810 737.1506 1.7092 746.8232 13.1014 760.2580 33.3886 767.2923 3.3436 776.8867 14.9116 784.9206 18.3319 799.2429 71.0000 830.3343 3.2992 854.1895 143.8005 857.5290 6.7099 867.1762 1.2045 881.3041 89.1613 916.0968 190.3500 931.0996 2.2718 939.1339 1.4252 953.1880 3.9750 956.5651 5.2845 965.2056 0.0420 973.9186 0.2897 976.1812 0.0609 996.2884 0.2147 1016.8193 0.5651 1022.7864 9.1232 1043.6763 7.1069 1047.0551 2.6801 1063.8928 1.3883 1084.1733 10.4354 1107.2528 3.4228 1140.7362 2.8678 1192.5456 0.0382 1195.7920 2.7680 1214.0565 0.3152 1222.9690 1.4728 1225.3609 0.2492 1245.1814 3.9907 1251.7248 0.7484 1308.3953 40.3305 1316.3953 28.2036 1330.3293 93.4738 1331.7490 67.1504 1337.2404 60.2284 1342.9095 52.5375 1366.0000 0.6144 1426.8584 29.3762 1433.3817 1.9564 1439.9161 96.4566 1464.2577 0.9029 1481.1040 34.7192 1489.2771 0.2493 1492.9814 1.5413 1498.5910 11.0124 1502.9777 2.0377 1506.1398 27.9780 1514.6397 0.3123 1517.9699 0.3665 1521.4040 0.0064 1534.7220 105.7503 1540.3438 6.4574 1542.2870 2.3980 1545.3245 11.7878 1551.0306 100.1709 1627.3334 26.5207 1634.2906 28.7014 1658.6707 12.6108 1661.5935 53.2941 3022.4070 24.9788 3023.5708 26.0452 3029.7718 60.9558 3047.2904 4.3596 3049.2872 6.1702 3082.0889 12.1307 3083.5797 11.2366 3088.3650 78.0131 3104.0301 4.4939 3107.1153 50.9712 3109.9107 46.7287 3117.8129 1.0303 3119.8319 36.9646 3124.9821 14.4331 3126.6242 12.2320 3179.7707 2.9982 3180.2036 2.9041 3186.2586 7.5536 3187.3304 12.9221 3196.8833 15.3327 3202.3512 29.2365 3206.8229 41.0259 3210.4950 22.0016 3215.1717 19.1037 3569.1671 37.4203 > 0.38411 GHz 0.24595 GHz 0.17013 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$