NIST 07021513093D 1 1.00000 -1392.33963 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 47 46 0 0 0 0 0 0 0 0999 V2000 90.3488 70.1813 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 89.6186 68.8170 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 91.8686 70.1792 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 88.1114 69.1728 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 89.9246 67.9699 -1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 90.0331 68.0681 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 92.3463 71.4417 -0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 92.5932 69.2028 -0.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 87.1076 68.0339 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 94.0384 71.8033 -0.2400 Si 0 0 0 0 0 0 0 0 0 0 0 0 85.8467 68.5141 0.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 87.3585 66.8445 0.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 94.7807 71.1259 -1.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 94.0386 73.6836 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 94.8752 71.1181 1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 84.4554 67.4904 0.2662 Si 0 0 0 0 0 0 0 0 0 0 0 0 84.5279 66.5046 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 83.0498 68.7391 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 84.3561 66.3930 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 90.0704 70.8134 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 90.0141 70.7391 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 87.9049 69.8312 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 87.8298 69.7612 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 89.3771 67.0252 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 90.9937 67.7546 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 89.6283 68.5023 -2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 89.8165 68.6720 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 89.4862 67.1264 1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 91.1039 67.8520 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 95.8393 71.4029 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 94.7093 70.0346 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 94.2652 71.5259 -2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 95.0625 74.0761 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 93.5565 74.0779 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 93.5027 74.0846 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 94.8107 70.0263 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 95.9353 71.4004 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 94.4095 71.5084 2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 83.6308 65.8831 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 85.4029 65.8480 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 84.5838 67.1663 2.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 82.0786 68.2348 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 83.0376 69.3506 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 83.1413 69.4163 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 85.2163 65.7191 -1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 83.4435 65.7841 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 84.3349 66.9913 -2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 1 0 2 6 1 0 3 7 1 0 3 8 2 0 4 9 1 0 7 10 1 0 9 11 1 0 9 12 2 0 10 13 1 0 10 14 1 0 10 15 1 0 11 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 6 29 1 0 13 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 19 47 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. > 2015-07-02 > 55887-57-5 > B3LYP/6-31G* > 2.7851 debye > -1392.33963117 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.5733 0.0001 16.6238 0.1425 36.7902 0.0772 38.2615 0.5101 39.7547 0.6638 80.5114 0.5995 82.6304 0.0513 83.1700 0.3301 108.9308 3.9458 118.8147 0.2471 129.0979 0.0051 133.9371 0.1222 136.6825 0.1263 146.1669 0.0046 147.9846 0.0340 150.9537 0.1242 154.5672 0.0449 158.1694 0.0447 175.1333 0.0412 193.6589 0.0376 194.2343 0.4105 195.2335 0.1771 197.1923 0.7789 234.4261 0.7633 248.8123 14.8398 253.6996 0.0694 257.1465 0.0509 264.0112 27.0214 275.1556 22.0183 277.3041 18.9669 278.7183 3.2435 300.8793 0.8187 310.8143 0.0511 329.0305 0.0045 391.7319 0.0992 417.6025 1.2962 504.2029 3.2157 571.9047 0.0042 595.0859 7.1798 596.8785 0.6392 610.5092 3.9152 694.5858 57.0138 697.6255 15.7005 699.3681 5.4360 699.9031 6.4025 701.2268 32.0106 708.0513 0.2069 709.5410 0.5544 710.7735 1.4272 723.8030 0.7199 764.7634 54.9074 789.0612 0.7252 792.0235 4.4343 792.2352 40.1862 793.0293 16.7729 802.1992 21.3521 881.3053 47.9483 895.1321 110.2977 895.4290 115.0126 896.1727 137.0303 897.2664 493.0115 906.3083 11.9640 909.2070 19.5482 912.4391 163.5293 922.1185 2.0102 971.3058 4.8966 974.1400 43.9000 974.6978 152.1332 1031.9217 10.4098 1068.5421 0.0385 1164.5163 5.7498 1172.9637 677.6909 1216.9842 113.9078 1247.0267 2.4459 1261.0118 402.7635 1279.6209 20.8700 1328.1745 35.7937 1328.3885 53.2331 1330.3434 39.7527 1331.0204 43.7607 1338.5235 29.6457 1341.1155 25.7585 1347.7919 0.3175 1397.7334 247.9600 1404.2842 25.5554 1422.5997 12.4011 1447.5663 8.7119 1471.5094 8.8246 1481.8977 0.0341 1482.5104 0.0146 1486.3400 9.4293 1491.9727 0.2521 1492.1995 0.6973 1492.8123 0.7370 1493.3236 0.8557 1494.2075 5.7313 1494.7922 7.7132 1500.8484 1.3782 1501.5709 1.6283 1512.6471 24.5014 1512.7521 3.4267 1521.3082 0.0055 1541.6772 0.1323 1545.1321 1.1872 1554.7442 30.5605 1788.7621 3.3286 1795.9497 326.3808 3031.8183 4.8294 3035.2820 15.8384 3041.4318 53.0671 3046.0787 1.9764 3046.6603 2.0052 3046.9865 4.9243 3047.2644 4.8244 3047.5323 7.1959 3048.9993 7.9659 3049.2203 6.8047 3064.1116 0.0353 3069.0140 29.7208 3114.0769 4.4731 3114.3894 4.7924 3114.4664 8.1997 3114.8522 9.6087 3118.8178 30.8065 3119.3794 26.6416 3125.5431 12.2230 3125.6531 14.3119 3128.8292 3.3790 3131.8883 25.2653 3142.9829 3.7891 3143.1512 1.9179 3144.3110 10.4074 3144.8800 8.4399 3163.7669 0.9434 3166.7189 16.7789 > 0.90257 GHz 0.08814 GHz 0.08645 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$