NIST 08021422353D 1 1.00000 -1042.11116 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 41 41 0 0 0 0 0 0 0 0999 V2000 -4.3205 1.2026 3.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 2.0165 2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 2.6158 2.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 2.1970 1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5715 2.8409 0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 2.4210 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 3.0597 -0.6605 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 2.8435 -1.9372 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5854 3.3770 -3.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9114 3.8297 -1.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 1.1996 -1.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 0.5326 -3.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 -0.9587 -2.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 -1.5058 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 -1.8428 -3.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -3.6726 -2.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2509 -2.8875 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -3.1685 -3.6385 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 0.7955 3.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 0.9145 4.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7105 2.2759 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 3.7141 2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 2.3319 3.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 1.1024 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 2.4643 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 3.9355 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1078 2.5708 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1962 1.3302 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5841 2.7027 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2717 3.2578 -4.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6835 2.7952 -3.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 4.4344 -3.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 3.6898 -2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 3.5250 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6877 4.9013 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9459 0.7182 -3.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 0.9178 -3.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -0.8525 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -1.4581 -4.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -4.7543 -2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 -3.3493 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 19 1 0 1 20 1 0 2 3 1 0 2 21 1 0 3 4 1 0 3 22 1 0 3 23 1 0 4 5 1 0 4 24 1 0 4 25 1 0 5 6 1 0 5 26 1 0 5 27 1 0 6 7 1 0 6 28 1 0 6 29 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 9 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 10 35 1 0 11 12 1 0 12 13 1 0 12 36 1 0 12 37 1 0 13 14 2 0 13 15 1 0 14 17 1 0 14 38 1 0 18 15 2 0 15 39 1 0 17 16 2 0 16 18 1 0 16 40 1 0 17 41 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. > 2014-08-02 > U352734 > B3LYP/6-31G* > 2.0648 debye > -1042.11116058 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.3028 0.3294 19.0056 0.8090 21.5985 0.5729 32.8231 0.3066 38.9357 1.7073 54.9024 0.3596 58.3721 3.4578 80.5162 1.0009 90.1267 1.1210 120.2515 0.1796 127.6023 0.3528 129.6887 0.5909 145.2513 0.1125 154.5068 1.1084 155.0021 0.4422 181.2073 1.3900 205.2898 1.2357 217.0427 0.8673 234.1382 0.8612 270.7103 3.5921 299.0615 11.9864 321.3289 4.0746 365.7338 12.8724 397.0574 19.3311 413.1728 2.7751 441.7625 0.6272 455.8853 2.5307 463.5162 2.1689 589.7199 1.4226 632.7937 3.3293 651.4089 5.4134 657.4350 6.9883 693.7144 4.3693 728.9226 16.2543 752.3053 1.9393 765.1414 0.3432 789.8881 0.6695 793.8162 19.4265 806.7457 9.1519 807.2247 5.3003 816.3168 123.1218 833.4231 8.8253 895.0534 215.2952 911.9185 225.4673 926.8121 26.4070 938.3321 26.7979 943.1589 4.3607 945.1749 0.6932 963.9440 1.1963 999.4579 0.5918 1028.2840 18.8360 1035.3966 9.8695 1039.2223 29.4341 1045.5566 5.7153 1050.5841 2.1750 1064.5392 1.7234 1071.2585 9.5700 1098.9141 43.6804 1118.6905 556.8164 1132.4529 136.6854 1151.1410 101.6030 1197.4877 0.6768 1224.4757 3.5076 1232.0271 0.7865 1250.6223 9.3570 1267.3259 2.0144 1287.6361 0.9793 1302.3943 0.0109 1312.8210 2.2657 1330.4760 0.4182 1333.2922 46.8924 1338.4040 24.5820 1339.5733 20.8891 1345.6447 0.8004 1356.2109 0.6208 1369.2146 19.7458 1411.2706 2.2138 1421.0061 49.0696 1446.5915 26.2137 1475.5622 0.8425 1475.7148 13.8618 1488.7852 0.5495 1491.0991 0.4818 1498.9139 4.6228 1501.6630 6.2044 1510.3763 1.7064 1520.4825 0.2523 1527.5811 20.5664 1533.7889 2.8774 1535.1589 0.8699 1551.5539 2.5692 1633.9324 21.3695 1652.5071 2.4575 1733.7733 9.2144 2986.8034 39.6548 3005.3394 27.0404 3012.2955 15.8009 3021.1322 30.4426 3023.7308 30.8422 3042.4771 24.8605 3044.8993 7.6231 3049.5848 2.5197 3050.0467 22.9568 3053.1670 19.6606 3070.0707 7.0850 3092.5876 83.0024 3114.2484 10.3237 3119.3775 19.1861 3121.5767 15.9878 3131.8988 8.9678 3135.2573 29.8395 3145.3910 33.2774 3155.7344 7.2656 3172.5389 21.0892 3203.3088 21.9316 3228.9998 4.6091 3233.9709 22.9150 > 0.41190 GHz 0.14453 GHz 0.11341 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$