NIST 06101516083D 1 1.00000 -1372.30960 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 40 40 0 0 0 0 0 0 0 1 V2000 7.8122 5.1535 -1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 4.8224 -1.9203 Si 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 6.5976 -2.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0112 5.0759 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8058 4.1948 -2.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4397 4.2774 -3.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 4.3068 -3.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9829 5.2977 -4.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9152 2.8621 -4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 2.5747 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3073 1.6388 -0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4827 2.2290 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2245 3.8170 -0.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 0.3789 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5515 0.9740 1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 0.0528 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5914 -1.5370 1.7073 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 6.1069 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 6.8491 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0106 6.7265 -3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 7.3339 -1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0396 5.3666 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 4.0642 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 5.7520 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6629 3.1518 -1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7372 4.2404 -3.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8360 4.4668 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 4.0344 -4.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 3.5992 -3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 5.3029 -3.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 5.0689 -5.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 5.2748 -4.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6812 6.3252 -4.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0071 2.7699 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5038 2.0965 -3.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 2.6205 -5.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9876 1.8845 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 2.9603 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1153 -0.3431 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 0.7114 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 2 13 1 0 6 7 1 0 6 8 1 0 6 9 1 0 10 13 1 0 16 17 1 0 10 11 1 0 11 14 2 0 14 16 1 0 16 15 2 0 15 12 1 0 10 12 2 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 9 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 15 40 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. > 2015-06-10 > U307940 > B3LYP/6-31G* > 2.8330 debye > -1372.30960426 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 10.8185 0.0091 37.3675 0.0021 48.3205 0.0127 57.6954 0.0761 65.2239 0.0548 115.7642 0.0558 118.6399 0.0618 158.7856 0.6082 184.8564 3.6032 213.2083 0.0778 222.3954 0.1859 231.0047 0.9229 239.7185 0.1168 245.7817 1.0846 251.8898 0.2854 286.2679 0.3222 290.8902 0.2308 294.0437 0.3299 299.6853 0.4141 301.4867 0.4914 336.1253 1.8359 348.0291 2.5120 359.0117 4.1931 372.6921 1.7681 380.7593 0.2071 397.2913 4.9920 414.0722 13.4134 431.6889 0.5840 435.9110 2.4178 485.9106 9.9503 516.6897 6.4347 542.4431 0.2937 586.6303 10.7707 617.5659 19.0298 649.1944 5.0759 703.2916 0.0434 750.2439 86.6195 818.8049 3.9964 822.6376 9.2958 826.8822 9.5373 842.1835 156.6274 843.6357 121.3359 865.8195 252.4453 941.2436 2.3783 943.5654 107.0183 947.9581 1.3514 953.0790 4.3955 954.9442 0.0583 958.4891 3.6092 960.2699 2.3681 974.7722 0.2871 977.8638 0.0165 1028.1651 24.6834 1035.8938 2.7342 1043.0223 15.2599 1049.8475 10.4567 1050.6599 3.1982 1110.6168 49.4543 1135.7869 6.9208 1204.0300 16.0844 1217.1121 0.1440 1221.9929 1.5157 1225.4684 1.3661 1228.2017 2.6629 1241.9748 4.8453 1244.3034 4.3301 1313.2269 258.8966 1329.5695 40.6590 1336.1008 170.5422 1427.3386 0.1570 1428.1846 0.1747 1430.4458 2.0465 1432.6266 4.5167 1451.7191 0.7646 1458.2481 5.2433 1463.4774 5.1105 1511.8776 0.3467 1514.0505 1.4102 1514.7253 1.5756 1516.9756 1.9596 1519.8710 0.7305 1520.8376 1.4202 1534.1342 2.7006 1537.5052 17.5665 1538.9909 25.1503 1540.7245 263.2424 1543.8007 12.8715 1544.3386 11.9834 1547.7491 19.6886 1625.5154 4.1032 1653.7109 58.7289 2230.6805 153.2711 3024.5209 20.1761 3025.4715 28.1249 3025.6810 15.6625 3027.8686 29.2221 3030.7891 79.7574 3034.0576 45.6887 3083.8214 24.3079 3087.6825 24.0330 3089.6325 18.3384 3091.0302 41.2313 3093.1062 57.2134 3095.3190 29.0632 3107.6580 21.1508 3115.5371 12.6009 3116.1681 17.8348 3118.0871 23.5621 3121.0428 22.6405 3121.7414 63.4892 3212.9797 6.3049 3216.1672 3.8684 3227.2243 5.5570 3232.1996 6.4780 > 0.64993 GHz 0.19187 GHz 0.17468 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$