NIST 07281410513D 1 1.00000 -1368.97167 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 35 35 0 0 0 0 0 0 0 1 V2000 7.2044 1.5114 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 0.2306 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1543 2.4118 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 -0.1489 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -2.3203 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 -0.6562 0.1158 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.7355 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8482 2.0290 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5665 0.7382 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 0.3908 0.8443 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 3.1787 -0.2024 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 1.6254 -3.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 0.3873 -3.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -0.8710 -3.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 0.1898 -2.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5902 -0.0275 -1.2922 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2196 1.8150 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 -0.4752 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3373 3.4151 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 -1.1349 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 -2.2418 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 -3.0041 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 -2.7846 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 0.2624 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -1.3883 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 -1.1170 2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0198 2.5291 -3.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 1.7850 -4.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 1.5076 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9073 0.5613 -4.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 -1.7468 -4.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 -0.7388 -4.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.0913 -3.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 -0.6676 -2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 1.0823 -2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 6 7 1 0 6 10 1 0 6 16 1 0 8 11 1 0 9 10 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 1 2 1 0 2 4 2 0 4 9 1 0 9 8 2 0 8 3 1 0 1 3 2 0 1 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 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. > 2014-07-28 > U347071 > B3LYP/6-31G* > 2.7543 debye > -1368.97167030 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.0622 0.1920 19.8909 0.0803 36.5003 0.7867 44.1957 0.3707 68.5625 0.6290 87.7947 0.6881 121.2245 0.0039 123.5132 0.3228 140.9709 1.1129 159.8439 0.3122 167.1053 0.2825 180.9233 0.2006 195.3264 2.3788 218.6240 0.7617 230.8072 0.0442 255.1446 2.5497 258.5741 1.4086 285.5813 3.0415 306.1557 11.2494 355.9232 20.8314 374.8953 0.1659 383.7625 6.3239 393.8656 1.6647 456.2874 6.5450 474.3522 2.7888 525.4070 15.9860 547.0268 5.7195 566.8700 1.7437 637.2015 4.5385 678.1074 21.2836 704.4808 1.6292 720.2875 3.2779 737.5116 14.4953 768.4920 48.0413 775.5126 5.8560 783.5879 0.2979 808.1875 14.9143 826.4245 102.0344 864.7372 6.2021 872.8364 87.6718 900.0111 126.7867 929.0545 1.0507 935.9281 137.0285 942.9833 206.7527 968.8336 2.3098 973.7710 0.9277 979.5780 16.9738 981.7636 0.5142 1060.7190 25.3333 1076.6142 53.9554 1086.4099 266.1448 1153.4477 79.5122 1155.5795 16.8668 1180.8333 4.5240 1191.0589 1.3352 1222.7997 13.9294 1281.2815 34.1328 1300.8331 1.8196 1315.1388 196.5446 1332.4257 47.8035 1337.7198 30.8754 1342.2785 81.8929 1375.4521 1.3457 1383.4338 2.6197 1425.8014 9.9249 1427.4720 5.4526 1455.9984 15.8633 1485.1487 19.8605 1488.9730 1.6143 1489.7245 0.8314 1497.9610 2.6161 1502.3113 7.5757 1517.7842 0.6708 1526.9253 4.6830 1527.6119 2.1886 1527.6675 196.0696 1543.2820 1.2171 1544.2503 9.7495 1625.9911 0.5969 1645.9902 42.0129 3004.5301 10.1417 3018.1450 57.2869 3043.2191 34.9621 3048.5604 2.8559 3050.0907 11.1783 3057.2500 1.4732 3062.8881 36.4548 3105.2150 28.9472 3111.0092 49.1112 3120.6507 12.5504 3122.5263 14.1282 3124.1753 12.9913 3129.8991 45.5220 3131.6718 12.7027 3137.8348 6.4424 3193.1969 2.1327 3207.0282 15.3017 3218.0927 13.3834 3223.3481 6.7199 > 0.55174 GHz 0.28628 GHz 0.24473 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$