NIST 07021513103D 1 1.00000 -1549.57910 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 59 58 0 0 0 0 0 0 0 0999 V2000 51.8009 54.3630 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0614 55.1653 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5456 55.2355 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 55.4185 55.0683 0.5195 O 0 0 0 0 0 0 0 0 0 0 0 0 54.3282 54.3292 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 57.0537 54.4930 0.5360 Si 0 0 0 0 0 0 0 0 0 0 0 0 54.3612 53.1366 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9847 56.1111 0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 57.3506 53.2764 1.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4599 53.7510 -1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 58.8545 53.3165 2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 56.9753 51.8279 1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5276 53.7085 3.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 49.2745 54.4801 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1819 55.2661 -0.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 49.2337 53.3103 -0.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5758 54.7140 -0.6298 Si 0 0 0 0 0 0 0 0 0 0 0 0 46.1364 53.3135 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5394 56.2874 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4941 54.1511 -2.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0471 55.9867 -0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9982 57.4280 -1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7135 56.7411 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8992 53.9010 -1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 51.6983 53.5311 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 52.9905 55.6405 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 53.2046 55.9937 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 50.4046 55.6917 0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 50.6229 56.0807 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 59.0690 55.9675 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 57.6954 56.8364 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 57.7653 56.5590 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 56.7937 52.9153 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 57.3539 54.5028 -1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 58.4934 53.3843 -1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 59.0661 52.5914 3.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 59.1691 54.3023 2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 59.4947 53.0514 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 57.1531 51.1580 2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 55.9252 51.7414 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 57.5838 51.4587 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 55.4505 53.6409 3.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 56.7544 53.0545 4.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 56.7510 54.7376 3.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 45.1109 52.9633 0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 46.8143 52.4688 0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 46.2154 53.6215 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 47.1632 53.2988 -2.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 45.4782 53.8391 -2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 46.7947 54.9460 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 43.4395 56.8835 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6641 55.1936 0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 43.8626 55.6838 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 45.4120 58.3381 -1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 47.0547 57.6753 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 45.8615 57.1731 -2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 46.7607 56.9649 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 45.1284 57.6530 1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 45.3664 55.9805 1.8693 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 14 1 0 4 5 1 0 4 6 1 0 5 7 2 0 6 8 1 0 6 9 1 0 6 10 1 0 9 11 1 0 9 12 1 0 9 13 1 0 14 15 1 0 14 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 19 21 1 0 19 22 1 0 19 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 23 58 1 0 23 59 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. > 2015-07-02 > 98830-34-3 > B3LYP/6-31G* > 2.7560 debye > -1549.57909954 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.8673 0.1187 17.7658 0.0330 23.6399 0.3656 24.9911 0.5197 28.8983 0.1894 37.6792 0.0559 58.3383 0.6812 62.1519 4.1792 76.7965 0.0443 86.2538 0.1624 90.8670 0.2626 111.6104 0.5271 112.2254 0.3159 123.7702 0.0675 132.3163 0.0650 134.2505 0.0289 136.9352 0.0617 147.3134 0.1819 163.4985 0.4535 163.7816 0.5969 174.8971 0.5101 179.2922 1.1769 195.6240 0.4170 205.6072 0.6711 210.4752 2.4932 218.7635 1.8787 220.8374 7.6187 229.8564 2.4161 230.4144 5.3486 242.2773 1.2398 249.4175 2.6757 275.0363 4.9889 279.3610 14.1347 281.1224 2.3628 287.3426 3.1458 297.8776 6.1987 305.2790 8.0886 311.1368 5.9816 314.2064 2.0593 350.1718 15.5547 352.2421 7.3990 385.1624 0.1277 393.2955 3.5048 394.9361 3.5409 396.9279 1.3147 411.8181 1.8434 446.7116 2.0098 561.4076 0.2174 565.5397 0.2968 568.1898 2.8888 579.4904 5.6846 659.9001 17.0218 668.5735 18.0074 677.9791 26.2932 700.1114 6.1366 700.5449 9.6102 713.0456 6.9789 730.9021 22.2602 753.2000 130.9769 756.0216 19.0274 775.2163 0.1727 775.7117 0.2819 809.4112 60.9147 811.7356 86.1723 830.0387 4.9715 831.8488 5.5786 859.8868 484.4061 865.1386 19.8856 876.8888 1.4460 888.3419 81.7890 889.7154 119.0891 933.5822 131.6354 953.9662 9.4705 954.8727 3.5165 957.8944 4.7097 958.8970 3.3993 966.4057 28.6841 975.0669 0.0821 981.1767 0.2859 1041.7012 11.4047 1042.2569 5.9270 1045.6175 4.6517 1052.3130 4.4306 1072.6619 0.3878 1087.0124 4.5112 1094.6761 3.7082 1178.0731 0.5657 1198.7452 826.9656 1222.5596 3.4812 1225.5137 12.9671 1226.5545 5.6374 1227.4019 1.9690 1233.9989 27.1634 1249.3026 2.1475 1251.1892 1.2337 1300.9934 10.2718 1314.5994 511.0490 1327.0603 49.3477 1327.5477 48.5662 1333.0702 42.9779 1333.3330 17.1268 1336.7412 29.6790 1406.8195 3.1528 1425.0528 2.0237 1428.2764 0.9401 1429.0057 0.7463 1432.7090 4.5811 1435.9001 95.5542 1458.2950 2.6078 1463.1518 7.7259 1484.8875 0.0647 1485.6319 1.5110 1487.5787 7.7010 1491.9844 10.7027 1493.6868 2.8687 1494.9910 9.3185 1495.4108 2.8726 1497.6721 1.0619 1504.2465 8.5643 1507.2807 10.6267 1515.6369 0.3740 1517.4188 1.9936 1517.4405 0.2288 1519.3297 1.0567 1520.4174 0.2800 1521.6583 6.4018 1522.5319 0.9097 1536.4435 2.9440 1537.2326 3.8848 1539.5529 5.6741 1540.3790 5.7735 1546.6791 15.7775 1548.3744 14.1749 1796.6058 50.9705 1802.0495 307.1578 3022.1762 26.4245 3022.7853 27.1804 3023.3396 28.4533 3023.8714 24.5143 3029.1341 62.6448 3030.1288 61.9821 3039.6751 9.2161 3042.5951 14.2047 3049.0165 2.8197 3050.8795 4.1397 3051.2350 3.0588 3052.9102 6.6980 3069.3259 11.9358 3071.4398 0.2108 3080.0512 14.6317 3080.6062 12.9338 3083.5916 30.6482 3084.8592 15.6756 3086.1119 11.9212 3088.4416 65.2682 3089.4551 53.7226 3099.6017 35.0645 3106.0364 29.3080 3113.0913 9.5446 3113.3399 33.2703 3115.3400 12.8682 3115.5904 54.0879 3120.9595 6.9461 3121.9842 12.9916 3124.5148 16.0672 3126.1418 13.9078 3127.0112 20.0456 3141.2647 3.3977 3142.2341 8.9539 3143.3414 9.8212 3146.7398 4.5948 > 0.59582 GHz 0.05403 GHz 0.05342 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$