NIST 08061409233D 1 1.00000 -760.31586 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 36 35 0 0 0 0 0 0 0 0999 V2000 -0.2345 1.1742 1.4882 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 1.9386 1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 2.4980 1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 0.1624 0.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3186 0.1735 3.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 0.8188 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 2.9069 2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 2.7120 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6126 -0.6323 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -2.9639 -3.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -2.2366 -1.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -1.3588 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 2.0501 1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 3.1938 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6064 3.0848 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 0.8086 3.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 -0.2826 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -0.6341 3.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5551 1.2451 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 0.1031 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 0.2611 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 3.3482 2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1223 3.7367 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 2.4000 3.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 2.0588 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 3.5434 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 3.1399 -0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 -1.3651 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 -0.0013 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 -3.5822 -3.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 -2.2515 -3.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -3.6200 -3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 -2.9750 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5847 -1.6164 -1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3105 -0.6101 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 -1.9700 -1.3675 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 7 1 0 2 8 1 0 4 9 1 0 9 12 1 0 10 11 1 0 11 12 1 0 3 13 1 0 3 14 1 0 3 15 1 0 5 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 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. > 2014-08-06 > U333047 > B3LYP/6-31G* > 1.1270 debye > -760.315860832 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.1102 0.0053 34.1229 0.4310 46.9235 0.4766 50.3287 0.0277 111.2444 0.1385 120.3704 0.6792 137.4523 0.2214 145.2534 0.1721 150.9457 0.1070 156.1430 0.0126 173.0767 1.4567 208.5574 0.5374 230.8838 1.5609 234.9356 0.3115 240.2103 1.2868 251.9465 0.1859 267.6422 0.9384 278.1646 1.1779 291.6535 0.2823 311.3799 7.9286 359.7731 3.5748 366.6866 4.4839 392.0542 2.1269 410.7632 2.3878 434.9801 3.6368 563.0626 0.9211 658.1483 13.4829 681.6970 8.6586 750.7460 2.5976 755.8938 0.5358 776.9068 24.4337 795.7402 78.1549 820.4669 3.9503 828.9256 3.4708 870.9885 196.5342 884.7105 111.0658 923.2242 28.0689 955.0678 3.4552 956.5996 7.0369 963.8410 0.0284 973.5894 0.0941 1028.1681 21.5003 1039.9222 6.6151 1046.0785 4.4552 1073.2874 0.1118 1120.6474 400.2483 1146.3430 2.9450 1201.6264 1.9189 1225.9617 0.0039 1228.8288 1.7124 1251.9746 0.2811 1267.5024 0.2306 1307.6030 2.4526 1325.9544 39.0292 1333.2402 32.4052 1339.0598 1.0334 1339.9004 0.0089 1406.9052 0.4578 1423.2885 2.1827 1425.1153 0.8520 1441.1181 6.5697 1449.0202 34.3903 1456.4600 0.8742 1490.1258 0.0622 1493.7646 0.6272 1500.5810 6.4552 1504.1943 6.1960 1515.1863 0.0106 1518.3788 0.2714 1520.0500 0.1710 1520.9905 0.1739 1525.2073 0.3146 1529.9260 5.9979 1536.2436 2.8895 1537.3813 5.7604 1538.4458 4.5372 1547.3610 15.5754 1550.8857 3.9491 2989.1950 40.5599 3019.6910 19.6442 3020.0294 12.1644 3020.1927 51.2920 3023.6174 26.2480 3026.7111 66.5034 3040.0894 23.1651 3042.5941 5.3857 3044.6714 0.8724 3044.9421 52.1148 3048.8777 5.9536 3078.2936 10.5269 3081.4177 18.8073 3084.7662 41.2257 3085.2591 73.9098 3097.8338 37.6580 3109.4744 30.6782 3109.6801 37.3511 3112.1173 30.5470 3112.9651 43.8821 3114.7969 6.3328 3117.7378 55.7253 3121.9579 13.0317 3122.1862 10.3882 > 1.33833 GHz 0.33967 GHz 0.31904 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$