NIST 07271418543D 1 1.00000 -1271.61503 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 38 38 0 0 0 0 0 0 0 0999 V2000 5.8316 1.7100 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0654 0.3176 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 2.1920 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 2.7244 -1.0304 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -0.5537 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 -0.1400 -0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 1.3144 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 -0.0585 0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4791 4.4103 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5313 -1.0159 -0.2483 Si 0 0 0 0 0 0 0 0 0 0 0 0 10.0441 0.0989 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1878 -1.4266 1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7219 -2.5805 -1.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9865 -2.1660 -2.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9072 -3.4304 -0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4353 -3.4313 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 3.2574 0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2829 -1.6219 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7211 1.7116 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -0.7476 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2526 5.0794 -1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5619 4.5665 -1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 4.6454 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9584 -0.4170 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 0.4512 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9175 0.9839 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0794 -1.8648 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3611 -2.1319 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9392 -0.5170 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0701 -3.0568 -3.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1751 -1.5456 -3.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 -1.6025 -2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0293 -4.3259 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7563 -3.7745 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8555 -2.8800 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5699 -2.8793 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5502 -4.3338 -1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2014 -3.7644 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 6 1 0 4 9 1 0 6 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 1 2 1 0 2 5 2 0 5 8 1 0 8 7 2 0 7 3 1 0 1 3 2 0 3 17 1 0 5 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 11 24 1 0 11 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 16 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. > 2014-07-27 > U353100 > B3LYP/6-31G* > 1.2365 debye > -1271.61502975 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.9638 0.0547 25.6490 1.0976 35.5413 0.1616 61.5267 1.9224 69.3327 0.8538 103.6746 0.4840 131.7105 0.0115 140.5811 0.0875 151.1517 0.1253 157.2539 0.1389 173.6637 0.9115 194.9938 0.6243 205.4072 0.3130 218.9109 3.2844 236.6631 0.2039 242.2290 0.1436 251.1446 2.7089 274.5556 0.5074 278.9119 5.0036 285.4959 1.0767 302.3443 0.2127 314.2652 4.0128 360.2553 14.1115 387.5323 0.6379 394.5365 1.5796 411.8089 2.6172 455.0554 2.1973 474.5755 5.8836 522.5978 9.3652 566.4790 3.5841 569.6619 3.2173 656.3624 16.1552 679.9888 12.5829 691.9925 4.9867 720.2349 9.6140 729.7336 3.3664 733.2092 6.3543 762.2059 42.3421 771.3383 3.5588 803.7892 70.5026 827.8169 6.1089 854.9903 112.7815 858.6947 26.5305 882.4222 126.7176 923.4201 67.9804 930.2051 234.7629 955.2397 3.3100 956.6581 3.1673 964.6565 0.1513 975.4593 0.1719 989.0845 5.4011 1001.7790 1.0518 1038.1805 6.1051 1045.1622 3.6488 1067.2073 20.5086 1093.6111 31.2265 1158.2277 8.5690 1195.3920 0.5425 1225.5563 0.4410 1226.0520 0.6427 1248.9517 2.7704 1284.2112 145.7312 1311.4326 188.9612 1331.5295 36.6065 1337.6667 42.3477 1338.7992 2.5871 1389.4236 6.0564 1423.6094 1.1651 1427.5082 2.1703 1457.7536 5.1114 1485.7023 19.7686 1487.4200 11.2848 1488.0334 2.6198 1496.0905 6.7722 1500.0448 8.4224 1500.3664 7.2618 1514.7292 75.3588 1516.7908 0.6404 1518.6492 1.5425 1520.2114 2.4862 1525.0417 131.2340 1537.8718 5.9595 1538.5879 5.0991 1546.7347 20.0344 1629.4366 8.6778 1638.3228 45.4619 3021.6262 27.3259 3021.8753 27.5684 3028.2588 62.6443 3048.0945 2.5739 3050.1031 3.1351 3061.4669 26.6146 3079.8859 6.6843 3082.0874 29.6480 3086.6302 68.6196 3101.0637 30.0972 3109.9728 20.8921 3113.9479 40.4741 3118.1389 6.2967 3121.8201 26.6748 3129.9364 9.6719 3130.1270 9.9592 3143.1787 10.7909 3155.4216 5.5685 3187.1269 0.5926 3201.2673 23.3534 3214.1211 19.9080 3223.4510 13.3101 > 0.67413 GHz 0.27620 GHz 0.22842 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$