NIST 07081511373D 1 1.00000 -1053.18475 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 42 41 0 0 0 0 0 0 0 0999 V2000 9.8347 0.1577 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9132 1.7225 0.0656 Si 0 0 0 0 0 0 0 0 0 0 0 0 12.7079 1.1200 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 2.6619 -1.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9485 4.5885 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4124 4.5516 1.6197 Si 0 0 0 0 0 0 0 0 0 0 0 0 12.1090 5.1871 3.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1812 5.8149 0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6313 2.8066 1.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6642 4.0737 3.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2551 2.6509 3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3397 2.5225 4.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1066 1.6759 4.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8319 2.2147 2.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 0.3831 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0982 -0.5232 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9820 -0.3932 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4236 1.9291 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0187 0.5853 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7934 0.4186 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9871 3.5754 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3491 2.9447 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5418 2.0204 -2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 4.2824 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3284 5.6179 0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7538 3.9590 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 5.4021 4.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 6.1212 3.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8349 4.4801 3.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 5.5383 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2707 5.8967 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6409 6.8101 0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8768 4.1546 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2194 4.3120 4.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 4.8379 3.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7316 1.4993 5.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 2.7589 5.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1809 3.1952 4.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6608 1.9315 5.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3129 1.7118 3.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4670 0.6417 4.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5054 1.1956 2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 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. > 2015-07-08 > 26608-69-5 > B3LYP/6-31G* > 0.4660 debye > -1053.18475266 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.6298 0.0377 58.6432 0.0055 94.3540 0.0373 99.7246 0.0313 115.0555 0.0090 132.5977 0.0094 139.3279 0.0451 149.7345 0.0802 152.4378 0.0445 154.6412 0.0775 171.4405 0.0863 175.8011 0.2424 189.3869 0.2079 191.6645 0.1043 197.6106 0.2215 207.7882 1.1682 210.4846 0.0883 222.7264 0.7790 228.3357 0.0905 234.9283 0.3520 237.6200 1.7995 252.2709 2.1002 268.0299 0.6879 282.5556 1.2420 291.8234 4.9600 296.5586 0.2630 339.5217 1.8727 359.0736 1.4972 390.1934 3.8228 435.7245 5.7430 473.8914 2.3360 484.1018 7.3506 575.0273 1.6029 610.5721 10.7684 648.0185 21.1384 670.4577 10.4576 675.2769 10.4704 684.0234 8.8978 688.5079 10.9800 705.0451 0.2625 709.8069 0.3890 730.7395 4.4522 760.0047 6.3954 774.6016 1.4555 794.6907 19.5939 800.1582 41.8960 844.7315 12.2655 873.6303 3.8502 879.3122 10.3274 886.0616 126.6466 886.4758 195.0682 890.6741 78.9231 908.5473 84.4259 911.5946 181.6842 928.7644 16.3366 947.9491 3.8927 963.3644 59.2185 968.6814 6.9435 1058.2875 2.8833 1064.8963 6.9690 1236.6439 14.7012 1240.4854 11.3959 1276.6780 8.5010 1324.5184 7.4698 1324.7230 12.9778 1326.3366 42.5284 1328.6943 25.0928 1335.8349 32.4676 1342.4329 15.9788 1422.0786 4.6888 1423.6693 3.6707 1448.4724 3.9590 1461.6188 2.4009 1485.0748 0.6866 1489.0194 0.1327 1492.9330 0.2099 1493.3548 0.3059 1495.4061 1.3108 1496.3028 0.2427 1500.4093 2.4812 1501.4245 4.0421 1504.6586 2.7418 1507.8571 3.2583 1511.3030 1.0877 1514.6290 4.9806 1515.4787 3.2554 1519.5073 2.2440 1520.9330 0.6214 1532.4068 3.4346 1537.0076 3.7258 1549.4002 3.4543 1614.5554 75.4290 3038.2986 18.2525 3040.0019 5.1353 3041.6598 7.1543 3042.6218 8.0461 3043.5945 13.6262 3044.0163 25.2668 3044.5416 15.2619 3047.0871 16.9014 3051.9215 35.4760 3101.3317 6.1032 3102.9904 4.5867 3104.5967 8.0118 3104.8538 3.2700 3106.5211 10.0610 3107.3406 12.5592 3108.7534 29.9382 3110.1123 35.1935 3111.0940 87.5771 3112.9747 23.6789 3115.2384 41.8245 3119.5029 17.5686 3124.2389 21.4263 3132.7419 16.3741 3140.1219 11.7977 3142.3401 9.7381 3144.5857 30.4921 3158.7957 8.5169 3174.7240 16.3794 > 0.56802 GHz 0.42890 GHz 0.31094 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$