NIST 08031420563D 1 1.00000 -1064.55227 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 45 44 0 0 0 0 0 0 0 0999 V2000 -4.0771 -6.4641 -0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9021 -5.6736 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 -4.2208 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -3.4186 0.0296 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 -2.0342 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 -1.3009 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3718 0.0843 -0.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 0.8832 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6342 2.3412 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 3.1447 0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 4.8270 0.0249 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 5.2811 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 5.4905 -1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 5.4635 1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 6.8141 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 4.6310 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0499 4.7617 -1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 -7.3935 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4203 -5.8092 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 -5.9110 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 -4.0738 -1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0686 -3.9708 0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 -1.7951 -1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 -1.6981 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 -1.5458 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4106 -1.6327 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 0.7221 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 0.6425 -0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1604 2.4892 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 2.5777 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 6.5864 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4192 5.1979 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 5.1147 -2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1785 5.1040 2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3195 6.5598 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 5.1348 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6406 7.0807 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 7.3254 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 7.2318 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 4.8717 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 3.5402 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 4.9904 2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9457 3.6752 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 5.2224 -2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 4.9971 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 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. > 2014-08-03 > U352101 > B3LYP/6-31G* > 0.4285 debye > -1064.55227004 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.2804 0.0474 27.1022 1.0804 31.2890 0.1611 34.9787 0.1722 43.4954 0.2661 64.4143 1.0910 65.4990 0.2890 71.8983 0.4429 105.3996 1.6188 121.4097 0.1134 127.1118 1.6557 141.4145 0.1371 147.4169 0.0445 156.6856 2.9764 158.9981 2.2130 163.8125 3.8900 167.8979 18.4481 198.8123 0.6363 208.6575 0.2144 231.5174 3.2384 237.4720 9.3557 240.6593 1.8777 254.9788 118.5733 278.9297 1.7311 279.6471 0.6627 289.5227 7.5410 297.9620 0.7198 309.9985 7.9987 363.5732 3.5344 388.4321 2.6910 392.5237 1.9700 404.7174 3.5600 435.3797 3.8742 513.3859 2.8865 543.5214 5.5314 569.3928 3.0517 660.0333 11.3102 684.3754 8.0304 754.9603 0.0956 782.3623 27.6414 795.7353 80.7661 831.4099 4.1772 835.2287 1.2534 842.1432 0.0707 850.4633 2.3679 873.3119 209.2394 886.3318 144.5088 956.0938 5.6372 956.9618 5.2561 976.1460 0.1069 1020.1067 59.4995 1035.3835 59.2873 1042.6102 7.6764 1045.6967 4.7958 1050.9385 0.1175 1082.3695 21.5267 1096.7788 49.0513 1133.0990 373.1027 1148.3160 21.0418 1164.4191 0.7567 1176.6990 2.9536 1178.5188 34.8794 1187.1299 528.8869 1194.1003 8.4142 1224.9858 0.0004 1229.0611 2.7295 1236.2952 0.3374 1247.3830 0.9362 1251.4043 0.5748 1256.6111 15.9132 1267.1115 53.4158 1308.7605 0.0014 1312.6871 0.9601 1319.3462 5.4631 1328.5159 35.6480 1333.3664 30.4922 1352.8349 84.0502 1380.6152 0.9763 1408.9091 15.7563 1424.3177 2.0807 1428.6160 1.5020 1453.9101 4.2854 1458.4801 2.0998 1481.7882 0.1284 1490.5400 0.1202 1493.3402 0.6933 1501.2099 3.3465 1502.4734 7.1447 1503.5299 1.3393 1516.0112 0.1004 1519.0817 0.2174 1521.2785 0.2068 1535.7576 2.7771 1539.7904 5.8076 1541.8622 0.2953 1546.7363 7.5607 1547.4455 11.4230 1554.0384 15.4714 1560.8480 12.4352 1567.4316 0.7181 1570.5520 0.0585 2987.7348 3.8433 2989.9893 30.4475 2998.7782 7.0415 3000.8302 63.9122 3005.9458 112.8021 3015.2498 0.2573 3016.4661 59.9934 3020.3748 26.5349 3020.6436 27.4702 3020.6928 3.9335 3023.3647 23.2505 3027.3968 63.8346 3041.5770 98.9374 3044.0469 1.5115 3047.0193 2.6160 3049.0664 119.4497 3062.4907 73.1206 3078.6642 11.6263 3082.1658 20.2571 3085.7959 74.3100 3098.4919 37.4705 3111.6400 0.8930 3113.8613 11.1733 3114.4002 26.8431 3117.7837 55.3409 3121.3927 10.9183 3124.5080 12.0431 3767.1720 19.0073 > 1.26950 GHz 0.08633 GHz 0.08475 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$