NIST 07021513093D 1 1.00000 -1866.92485 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 60 60 0 0 0 0 0 0 0 0999 V2000 0.8843 0.9351 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -0.2989 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5062 1.1654 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6694 -1.4131 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4259 -0.2045 0.1061 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.1834 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -3.2356 0.6767 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.3506 0.0508 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2608 -0.0150 0.1747 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.9904 2.9633 -0.6447 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.2984 -1.6116 -0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -0.0790 1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9865 1.3777 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 4.0969 -0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3316 3.7075 0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 3.0868 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1694 0.8806 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 0.6188 1.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8348 -1.8218 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 -4.1599 1.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 -3.4554 1.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5941 -4.1131 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 1.7840 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 -2.0324 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -1.6702 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -1.3934 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 -2.6009 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 0.8281 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.9294 2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 -0.0125 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 1.4334 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6907 2.2959 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0823 1.3809 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 3.8833 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 5.1358 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 4.0423 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 3.2358 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 3.6582 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 4.7683 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 2.4621 -2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 4.1235 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6478 2.7760 -3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0536 1.9670 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8402 0.5050 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2427 0.6671 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -0.0044 2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5411 1.6522 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 0.5641 1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5202 -2.4398 0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 -1.8442 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4771 -2.3037 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -4.2573 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 -5.1761 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 -3.6808 2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 -2.9696 2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6506 -4.5263 2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -3.0699 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4284 -3.6462 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 -5.1607 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -4.1106 -1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 23 1 0 0 0 0 2 5 1 0 0 0 0 2 4 2 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 24 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 3 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 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 > 17156-61-5 > B3LYP/6-31G* > 0.0023 debye > -1866.92484569 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.3402 0.0003 23.9049 0.0095 34.2203 0.0325 70.9501 0.0871 74.5431 0.0111 80.5855 0.0042 84.2858 0.0119 96.1234 0.0008 104.8398 0.0001 115.3167 0.0286 119.2689 0.0405 121.9247 0.0173 127.8732 0.1200 139.1417 0.0124 146.7350 0.0823 150.2052 0.0059 155.4421 0.0130 159.6671 0.2997 164.7428 0.3032 171.1244 0.4705 176.0079 0.0801 176.8440 0.0180 181.7175 0.4332 185.5421 0.0491 188.7981 0.3634 190.7463 0.1162 195.3838 0.0048 201.8624 0.7410 207.8359 3.6365 218.5975 0.3460 219.1373 0.4977 222.3852 0.0920 224.5904 0.0657 234.6023 2.7517 240.7248 0.8799 242.2915 0.3035 247.2369 7.5892 249.3465 9.4000 271.2942 0.0294 274.5138 0.0022 289.5218 2.4689 294.7754 1.1105 309.7273 0.0876 341.5134 0.0016 391.1077 1.4900 438.8420 39.7165 449.5625 4.7915 454.9597 4.2560 491.8867 32.9829 590.2660 0.0027 608.0174 0.1311 618.9627 0.0056 622.0587 28.7926 636.3705 65.1162 675.4357 3.1541 675.6119 2.2271 676.5902 15.0693 676.9721 16.1251 688.2772 2.5241 688.4098 1.0787 689.0450 20.3580 689.2001 11.6993 697.4434 0.2931 699.3476 1.0268 705.7543 0.0067 709.0776 0.0801 709.5458 0.0169 746.3825 0.0709 778.9379 89.1101 784.3108 56.3282 786.2662 12.4667 786.9307 7.0534 787.3660 20.3773 788.8223 0.7051 790.5672 0.3071 801.0509 0.9570 823.4280 0.0479 873.3683 4.6931 874.8698 66.9846 879.2531 363.1815 880.0499 17.9024 881.1546 9.1722 882.7903 267.0862 884.5070 68.8836 885.5573 58.6807 888.0755 11.7477 893.9823 670.9975 906.7493 4.6099 911.3272 0.0541 927.6596 1.4795 944.9376 0.2676 1094.1133 33.6113 1116.0236 0.0010 1212.5434 68.5298 1254.6462 0.0512 1255.7576 3.2526 1320.2956 5.2834 1322.0088 16.9632 1323.7436 12.1567 1324.8682 2.3201 1325.2704 61.8231 1325.8327 39.0297 1327.4153 25.3771 1328.3700 0.0574 1333.5370 0.7354 1335.8604 76.2684 1341.0184 30.3134 1341.7971 0.0227 1374.4939 0.0110 1483.2686 0.3627 1483.9802 0.3432 1486.6731 0.8179 1487.6560 0.0787 1488.8987 1.0016 1489.3517 0.1142 1491.6904 0.1005 1491.9252 0.8575 1492.2718 0.1185 1494.2585 0.1894 1496.2692 6.3228 1497.4914 2.8893 1498.5860 1.0477 1499.4149 2.7631 1500.4114 0.3508 1501.3572 1.0488 1503.6093 0.3048 1504.7686 4.0002 1506.1076 13.0725 1508.6314 9.8888 1510.4522 1.2331 1510.7433 2.2318 1513.1682 0.0695 1516.2316 0.4747 1517.7071 10.6982 1529.1916 0.4884 1596.4167 0.0281 3041.8550 8.0974 3041.9178 2.0581 3042.0197 1.1353 3042.0925 3.9885 3043.9419 4.4811 3043.9687 5.1869 3044.2956 18.1972 3044.3556 14.9511 3045.3797 11.9674 3045.9548 10.6373 3046.7512 16.6828 3047.3282 10.1436 3106.8494 2.7967 3106.9824 2.5969 3107.0433 3.7739 3107.3344 2.3692 3107.6784 3.6150 3107.9073 2.9520 3108.1576 5.4522 3108.4619 4.4655 3111.1256 42.9319 3111.3177 86.9291 3111.3530 72.1888 3111.7125 4.2921 3120.7758 15.3733 3120.8867 27.2337 3121.1929 6.8117 3121.2070 10.2327 3139.9569 18.8660 3140.4778 36.5949 3141.3778 5.4962 3142.7963 17.7148 3147.4474 3.4783 3148.6047 4.9712 3155.8494 3.9614 3157.7964 4.1057 3221.3129 13.4791 3224.4741 3.3819 > 0.24501 GHz 0.15271 GHz 0.10737 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$