NIST 08031215023D 1 1.00000 -987.41181 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 22 0 0 0 0 0 0 0 0999 V2000 0.0218 0.2148 -0.0548 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 1.2319 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 2.7229 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 3.5677 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 5.4582 0.0125 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 6.2916 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 5.9926 -1.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2668 5.9537 1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 0.9473 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 0.9266 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 2.9448 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 2.9653 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 3.2989 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1265 3.3184 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8569 7.3844 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 6.0022 0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 6.0199 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1643 7.0799 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3145 5.5310 -1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 5.7172 -2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 5.6536 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 7.0406 1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 5.4935 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 2 3 1 0 5 6 1 0 1 2 1 0 5 7 1 0 3 4 1 0 5 8 1 0 2 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 4 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 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. > 2012-08-03 > 2344-83-4 > B3LYP/6-31G* > 2.7008 debye > -987.411807935 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 34.6337 1.1876 73.2303 0.1432 74.9977 0.7220 124.2663 0.8549 144.2935 0.0334 158.2472 0.0202 159.2968 0.0113 170.8771 0.2472 188.6221 0.0060 195.7006 2.1185 222.8488 2.1610 237.1868 2.4672 297.3957 6.7421 369.7357 4.6923 583.7253 4.0318 669.0757 0.0109 673.1785 5.6329 691.7100 9.6407 692.9034 14.1460 698.8710 0.1196 743.5528 68.5124 763.2969 12.8686 787.8418 10.9811 823.2442 4.7630 881.6999 75.7429 882.7296 77.0128 904.3897 186.9626 1002.3851 28.6257 1024.2186 11.1510 1052.3471 9.5242 1135.3149 0.6156 1220.9044 10.5447 1292.9292 3.0437 1314.0297 59.7254 1326.9936 28.4430 1329.1397 34.0806 1339.2125 8.5050 1347.7647 0.5083 1389.6760 7.4726 1486.1972 2.5214 1489.5095 0.0266 1491.1260 0.2078 1491.6473 0.1828 1502.2959 2.5930 1503.3744 4.8765 1508.7642 5.7000 1514.2548 0.8370 1529.2442 3.4916 3013.9537 14.8931 3039.6159 8.6517 3040.3599 7.4333 3041.8735 1.8823 3049.8699 13.2983 3057.4107 14.0917 3097.4839 19.1202 3099.0951 22.1482 3110.7950 1.7245 3110.9684 0.9462 3113.0826 21.7335 3113.7780 36.5062 3114.3604 5.3351 3115.7577 34.5800 3158.9610 17.5854 > 2.72494 GHz 0.46895 GHz 0.46342 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$