NIST 07251414093D 1 1.00000 -2212.89447 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 34 34 0 0 0 0 0 0 0 0999 V2000 6.7669 3.0003 -0.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5002 4.5002 -1.6381 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.9363 1.9481 -0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 5.4945 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 4.2128 -3.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9251 5.2632 -0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9987 6.8800 -1.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2004 5.6845 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3205 4.7419 -1.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6168 1.1163 -1.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7979 0.0102 -1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -0.3046 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 -1.0218 -2.9441 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 0.5186 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 1.6429 0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9702 0.1049 2.3237 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 2.6708 1.9242 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 5.1662 -4.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4089 3.6099 -3.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1653 3.7015 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7037 6.2228 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0641 4.6061 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 5.4342 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9008 7.4640 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9342 6.8029 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 7.4645 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1182 6.2412 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 4.7246 0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3586 6.2533 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 3.7516 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 4.6091 -2.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2312 5.3086 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0273 1.3356 -2.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -1.1692 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 1 0 2 6 1 0 4 7 1 0 4 8 1 0 4 9 1 0 11 13 1 0 14 16 1 0 15 17 1 0 3 10 1 0 10 11 2 0 11 12 1 0 12 14 2 0 14 15 1 0 3 15 2 0 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 12 34 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. > 2014-07-25 > U333436 > B3LYP/6-31G* > 2.8792 debye > -2212.89446833 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.8540 0.0162 28.3587 0.2188 43.5772 0.4122 47.6689 0.0180 83.0239 0.2411 109.1395 0.7281 144.6622 0.0846 149.9445 0.0375 154.9848 0.0760 170.3238 0.6186 187.4589 0.7137 193.6924 0.2920 208.3546 0.1584 211.9483 0.1709 216.8005 2.1576 235.8904 0.0443 238.2324 0.2555 265.5317 0.2924 272.3365 1.9039 289.8190 0.0287 295.8690 0.9275 318.7972 4.6650 322.6804 2.3061 335.8064 1.5499 366.4935 15.2359 385.8536 0.2680 392.3176 1.9666 412.5346 3.1410 488.2836 6.5740 548.1828 1.9694 553.7286 0.4327 573.0735 3.8178 593.6081 9.3306 615.8976 28.7970 667.7633 17.3736 690.6453 6.1246 707.3916 5.0212 752.1166 22.5715 763.6766 0.4370 803.2085 70.9704 827.4682 44.2390 830.2448 7.9854 848.8300 26.1640 865.5398 276.5070 867.8440 13.2680 888.7634 120.5708 955.0985 6.8112 957.2930 6.6786 976.3633 0.3461 991.9910 365.0505 1041.6869 3.0441 1046.1585 3.2680 1078.6477 25.6992 1140.6459 41.6435 1217.4838 5.5893 1225.5546 0.0219 1227.7271 0.1688 1252.1636 0.7181 1302.8822 29.8409 1317.7566 91.9901 1331.9283 42.1353 1339.1393 38.4986 1427.1651 4.6053 1429.4451 1.6129 1438.6233 144.6666 1460.0964 7.8988 1469.8156 224.1306 1488.3780 1.0488 1491.4875 1.2091 1500.9534 9.1288 1502.8259 11.0756 1515.8320 0.1965 1519.0694 0.6313 1520.4964 0.4149 1536.1677 3.2461 1538.6172 7.0703 1547.1849 21.3104 1599.4597 99.4127 1616.7350 185.0206 3024.7056 24.6045 3025.8772 26.0635 3031.8583 59.9646 3047.1286 1.6221 3049.0700 1.8185 3083.2333 8.7293 3086.2905 21.2186 3090.5229 67.2718 3101.3496 32.4405 3114.5027 4.6619 3116.3075 15.9602 3117.9604 29.4159 3123.5980 31.8303 3125.9543 9.5578 3134.7898 6.1852 3246.9357 0.4449 3250.1595 1.1740 > 0.43942 GHz 0.19605 GHz 0.14941 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$