NIST 07021513153D 1 1.00000 -3114.36975 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 38 40 0 0 0 0 0 0 0 0999 V2000 13.5113 3.8538 -2.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2580 4.3763 -3.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2885 4.9209 -4.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5903 4.9522 -3.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8586 4.4377 -2.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8280 3.8932 -1.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3805 1.7595 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 2.6012 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 2.7528 1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7865 2.0665 2.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8287 1.2265 1.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1229 1.0739 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1561 0.5442 -3.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5275 0.5217 -4.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3870 1.3283 -3.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8886 2.1729 -2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5036 2.1855 -2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6222 1.3781 -2.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7839 1.4867 -2.4430 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 -0.2754 -3.1278 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9585 3.0365 -3.5710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.0879 3.1837 -1.2525 Si 0 0 0 0 0 0 0 0 0 0 0 0 11.0382 4.7441 -0.3509 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.8468 2.0077 0.2974 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.2506 4.3563 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0759 5.3188 -5.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3940 5.3755 -4.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8710 4.4589 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0507 3.4929 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7498 3.1452 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2304 3.4093 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 2.1880 3.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4147 0.6939 2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9419 0.4206 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4973 -0.0943 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 -0.1262 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4534 1.3005 -3.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1067 2.8356 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 18 19 1 0 19 7 1 0 19 20 1 0 19 21 1 0 16 22 1 0 22 23 1 0 22 24 1 0 22 1 1 0 7 12 2 0 12 11 1 0 11 10 2 0 10 9 1 0 9 8 2 0 7 8 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 13 18 2 0 2 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 17 38 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 > R135449 > B3LYP/6-31G* > 2.8444 debye > -3114.36975246 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.2515 0.7894 12.3487 0.5256 27.7457 0.1231 29.5094 0.1007 38.3887 0.1893 47.2553 0.0463 64.4093 0.0590 79.5388 0.0569 85.7344 0.5710 94.7615 0.1466 104.2480 0.7770 138.2428 4.2629 158.5516 6.5489 162.8333 1.9104 178.7311 3.4028 203.3406 1.8869 209.2824 0.6853 212.8108 7.8043 242.5647 4.5281 257.5178 0.2844 275.3577 1.4379 291.7769 0.6913 318.4193 0.6559 341.1588 1.7538 405.0036 0.0126 405.1742 0.0358 427.8738 0.2373 459.9663 70.6233 464.9088 2.4026 480.2710 133.5307 484.2019 19.6008 510.8134 23.2083 539.0975 232.8065 556.7995 56.2620 574.3387 300.8873 583.4714 16.5090 633.1626 2.2160 633.3921 0.6687 684.2570 10.6329 710.2133 44.6277 710.9759 23.4364 712.6815 14.0354 719.3793 54.7337 723.3200 27.5848 758.4772 25.3049 759.3046 9.7105 797.4053 112.9728 810.8065 7.3160 870.8827 0.1809 871.7725 0.1230 943.0165 0.7066 943.4886 0.3676 949.0539 0.7129 959.6834 0.1335 981.9723 0.0674 982.2301 0.0924 1003.8329 0.2097 1009.4517 0.0790 1009.4662 0.1321 1009.7038 1.3728 1014.4855 4.4785 1014.5416 0.8355 1056.0174 0.1868 1056.2065 0.3026 1111.8557 0.8235 1111.9883 0.2964 1117.4099 1.7721 1130.8684 64.1782 1132.8946 38.9708 1138.8148 113.9225 1166.3960 20.0021 1197.8566 0.2445 1197.9452 0.2318 1224.1690 26.1219 1227.0753 3.0724 1227.6117 4.0385 1309.2672 4.4148 1325.3300 7.0734 1325.8643 0.7181 1372.3273 2.4820 1372.9168 2.5629 1376.1438 3.0094 1417.6001 37.6791 1476.8665 10.7724 1477.0194 27.5246 1517.9759 2.4548 1535.9458 0.6055 1536.3446 0.7207 1616.7992 2.7687 1628.7396 0.9704 1628.8364 0.8263 1632.5637 15.9735 1650.0750 3.9647 1650.1308 7.8920 3181.0563 4.4945 3182.0026 3.9386 3185.3431 3.0444 3188.8447 1.3085 3189.1020 1.4562 3194.6612 3.3306 3198.4387 12.9197 3198.8679 11.2499 3199.2744 3.9975 3207.1181 20.7791 3207.6600 22.7614 3212.4197 18.4045 3214.1663 25.5092 3214.4947 16.2345 > 0.26119 GHz 0.08573 GHz 0.07581 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$