NIST 06181211513D 1 1.00000 -1139.93822 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 43 46 0 0 0 0 0 0 0 0999 V2000 -1.2316 -6.8441 7.6325 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 -5.3574 7.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 -4.7338 8.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4178 -3.5972 7.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 -3.0701 6.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 -3.6541 5.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5335 -3.1134 4.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2607 -3.6718 3.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 -4.8035 3.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -5.3507 4.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -4.8070 5.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 -7.3574 9.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -7.2210 10.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -7.6375 11.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -8.2047 12.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 -8.3712 11.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0946 -8.9519 11.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -9.1054 10.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8098 -8.6767 9.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5976 -8.1122 8.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 -7.9413 9.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 -8.3505 6.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0575 -6.3312 7.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6853 -5.1242 9.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0411 -3.1484 8.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 -2.1980 6.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -2.2416 3.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -3.2476 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 -5.2448 2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 -6.2207 4.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 -6.7844 10.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 -7.5085 12.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -8.5339 13.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2789 -9.2724 12.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 -9.5503 10.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5787 -8.7902 8.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -7.7749 7.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -9.2725 7.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 -8.4242 6.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -8.3257 5.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7065 -7.1598 7.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 -6.0141 6.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 -5.4883 8.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 22 1 0 0 0 0 1 12 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 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. > 2012-06-18 > 18753-19-0 > B3LYP/6-31G* > 0.1391 debye > -1139.93821556 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.7977 0.0045 25.9126 0.0072 40.2243 0.0220 66.3359 0.0929 82.9709 0.0018 107.1064 0.0389 136.0756 0.0046 152.2484 0.0239 169.4429 0.2083 178.3979 0.8311 183.6576 0.6003 186.0574 0.7333 197.3219 0.4261 213.0997 0.2748 222.9093 0.5849 249.7294 1.1773 282.5561 6.7156 337.8390 8.1641 390.8478 12.5275 412.7987 0.6345 427.9997 6.2377 429.9878 37.9782 433.7238 16.1202 481.4403 0.1235 482.0571 0.3010 523.9499 1.6599 527.1043 5.2267 533.8829 0.1768 540.7856 3.5719 543.3165 2.6127 547.9176 1.1731 638.9182 7.9971 642.2919 0.1045 646.4822 3.8685 676.8751 1.7034 687.5109 13.7693 692.0605 11.4276 747.5316 2.9320 748.2818 5.3580 782.6777 0.5536 788.2890 8.7731 798.2876 19.9922 802.6812 59.2594 806.1150 17.5667 807.9846 7.5032 815.2768 52.8475 816.5824 20.1098 820.1256 11.9147 828.8938 2.5795 865.1949 188.6737 876.9657 46.4767 880.6270 23.5723 881.0556 30.8061 935.6030 0.0851 938.2382 0.1934 952.3824 2.8587 953.6205 2.2346 981.3731 0.6371 982.4132 0.5985 988.8630 9.5165 990.1580 0.2394 990.2581 0.4668 995.2578 37.4580 1056.6583 5.9576 1057.0863 4.8296 1090.3742 1.6463 1091.3935 0.2656 1171.4425 6.6509 1172.3582 9.0720 1183.7982 3.5573 1184.3187 6.1050 1195.2656 0.3883 1196.1875 0.6962 1241.4184 8.7683 1241.9886 3.6608 1251.7072 9.8975 1252.6680 3.5726 1292.9373 1.6894 1293.8974 1.3919 1328.8564 26.4622 1339.4393 20.3002 1362.6584 12.3359 1365.2058 9.7411 1399.1701 0.1045 1399.9316 0.2519 1432.0508 1.4769 1432.9709 2.4546 1477.5077 0.8366 1478.4911 1.1875 1493.8647 0.9799 1494.5403 1.3409 1501.3882 5.0723 1503.5904 0.5422 1505.5832 0.9256 1508.2231 6.9620 1559.8558 10.6751 1560.3255 15.1802 1618.2830 1.4765 1619.5076 0.8235 1648.7751 3.4430 1649.4031 4.4229 1676.0866 1.7575 1676.2585 0.7529 3046.9375 4.9828 3049.8906 4.9275 3118.9912 4.6410 3119.9225 35.3669 3123.3951 13.3300 3129.5784 10.1798 3174.7115 0.3164 3175.2447 0.6799 3177.7557 6.0202 3178.0500 4.7364 3188.3684 11.6286 3189.0035 7.7103 3192.4972 29.3722 3192.8351 19.9906 3204.4655 53.2446 3204.8195 37.8693 3206.3077 19.6343 3206.7130 27.1879 3218.8837 14.9052 3224.2052 15.0784 > 0.47297 GHz 0.15162 GHz 0.13803 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$