NIST 08061409233D 1 1.00000 -874.89242 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 40 39 0 0 0 0 0 0 0 1 V2000 156.7240 40.1238 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 155.3002 39.6047 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 156.8299 41.6503 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 155.1904 38.0770 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 153.0596 33.4288 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 152.4073 35.1730 -0.0907 Si 0 0 0 0 0 0 0 0 0 0 0 0 151.2891 35.6515 -1.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 153.7711 37.5730 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 150.6154 36.2271 1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 151.5499 35.2339 1.3383 O 0 0 0 0 0 0 0 0 0 0 0 0 149.8566 35.7596 2.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 150.8095 35.5041 4.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 148.7676 36.7778 3.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 153.7552 36.1515 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 157.4021 39.6729 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 157.0729 39.7789 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 154.6226 40.0578 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 154.9519 39.9530 0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 157.8565 41.9889 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 156.1851 42.1290 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 156.5254 42.0226 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 155.8523 37.6143 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 155.5251 37.7185 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 153.6672 33.1748 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 152.2396 32.7047 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 153.6872 33.3123 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 150.9393 36.6891 -1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 150.4017 35.0081 -1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 151.8214 35.5348 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 153.0906 38.0018 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 153.4191 37.9061 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 151.1394 37.1702 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 149.9004 36.4320 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 149.3717 34.8087 2.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 150.2669 35.1090 5.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 151.5862 34.7862 3.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 151.3029 36.4347 4.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 148.1942 36.4403 4.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 148.0619 36.9321 2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 149.2058 37.7524 3.6068 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 4 8 1 0 5 6 1 0 6 7 1 0 6 10 1 0 6 14 1 0 8 14 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 5 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 13 40 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 > U346763 > B3LYP/6-31G* > 1.7060 debye > -874.892422035 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.4692 0.0666 29.7922 0.5034 33.4834 0.4517 33.6806 0.1626 54.9851 0.2136 83.8900 0.3260 86.8255 0.6538 109.0172 0.1227 118.2109 0.1076 126.7277 0.2100 139.8164 0.4020 148.2070 1.6135 159.8239 0.2463 183.4628 0.8665 194.6794 1.6373 206.4425 5.0286 225.8760 0.0234 240.7082 1.8291 252.5182 0.0143 261.5540 0.1821 287.3089 3.6245 319.7245 2.5752 346.5054 17.0357 364.4310 6.7306 399.9998 10.8153 428.6748 2.2599 435.6267 6.8456 469.5622 0.1161 634.5240 5.0065 699.1069 3.9689 744.3203 3.3712 775.1319 12.3493 777.4294 6.9908 782.2284 2.0174 785.6388 7.8623 816.1411 82.3488 838.6854 30.3791 870.3651 0.2770 888.1789 129.8659 899.8619 155.9682 917.9127 126.4967 934.8017 23.9984 945.2859 4.2639 969.3345 6.9903 982.9719 2.8686 998.4604 1.0709 1027.5344 1.4071 1057.6576 9.8809 1071.0436 2.3529 1116.7769 424.9097 1139.4274 363.0264 1148.9196 7.0417 1159.9895 1.8737 1196.0864 0.7794 1203.9072 2.2658 1211.8882 0.3483 1254.3359 0.6692 1284.4511 2.4689 1301.3400 0.2076 1320.9708 0.2340 1333.1932 45.0284 1338.3919 23.5510 1339.7494 16.4884 1346.4983 6.5175 1353.0067 0.3637 1371.1402 0.1970 1394.7511 1.8544 1423.6126 4.2614 1425.5397 5.8236 1433.2799 2.6341 1441.8985 2.3232 1448.3077 17.4627 1453.1746 26.8980 1490.6005 1.5391 1491.6043 0.1722 1498.3044 1.2180 1504.1127 8.9400 1516.9479 0.1058 1519.5107 0.9121 1519.7358 1.6163 1522.1442 2.1165 1529.9281 0.5593 1530.9328 5.8681 1533.7390 6.0184 1539.4442 0.6262 1541.4138 3.0684 1545.0810 13.9112 1551.4002 2.8484 2988.1146 15.8118 2994.8338 50.8341 3012.9835 20.3983 3021.1781 10.1916 3027.5614 26.5951 3028.8550 23.9678 3036.2022 13.2717 3036.8110 2.8593 3037.7916 39.7033 3042.0483 29.5265 3042.9256 42.5677 3044.1587 70.4148 3045.7865 10.6687 3055.0486 2.6046 3062.6040 12.2469 3088.9324 59.0436 3097.8020 17.6984 3102.9146 61.6649 3106.7965 73.1892 3112.0074 44.9878 3113.3596 43.0157 3116.4557 16.8716 3118.7657 12.0585 3129.4345 17.7049 3133.5901 10.1577 3139.5216 20.9408 > 0.68674 GHz 0.22444 GHz 0.18826 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$