NIST 08061406113D 1 1.00000 -1509.17314 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 55 54 0 0 0 0 0 0 0 0999 V2000 -3.4428 -6.4560 -0.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -5.7222 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5374 -8.1335 -0.0112 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -4.2394 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 -3.5109 -0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5552 -2.1100 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 -1.4588 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -0.0577 -0.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.6728 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4817 2.1520 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 2.8840 -0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 4.2853 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 4.9473 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6742 6.3517 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9144 7.4853 -0.0116 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.9765 7.2922 -1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0409 9.1497 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 7.2824 1.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -8.5097 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7138 -8.8344 -1.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 -8.8384 1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 -5.9552 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -5.9462 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -3.9974 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 -4.0059 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -1.7814 -0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 -1.7904 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -1.7868 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3756 -1.7769 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 0.4306 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 0.4415 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1371 2.3927 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 2.3827 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 4.6121 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9447 4.6019 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 4.6146 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 4.6240 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7683 8.0514 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4648 6.3114 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 7.4084 -2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 9.9774 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 9.2575 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 9.2634 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 7.3928 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 6.3013 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 8.0413 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5643 -9.5909 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8653 -8.0874 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8705 -8.0853 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -9.9278 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 -8.5935 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1828 -8.4411 -2.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -8.4486 2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7921 -9.9319 1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 -8.5964 1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 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. > 2014-08-06 > U352053 > B3LYP/6-31G* > 1.0891 debye > -1509.17314391 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.1223 0.0415 16.0030 0.0126 16.0417 0.0161 18.2353 0.1165 22.4980 0.0167 35.5977 0.3588 41.9508 0.0466 42.6198 0.0307 60.0027 0.0052 69.5809 0.0634 80.6965 0.3204 85.5557 0.1030 110.6007 0.0047 111.1095 0.0028 112.6033 0.0105 120.2492 0.0498 123.9072 0.1467 129.0900 0.0001 145.0939 0.6663 147.3054 0.1118 149.4839 0.7084 154.3474 0.1674 159.0715 0.0589 161.1234 0.0053 165.5170 0.1927 168.4571 20.7490 180.5497 1.3932 191.8254 1.0887 192.3675 0.7359 195.2437 2.7744 204.6703 0.4180 236.4160 0.2613 253.4775 7.8611 282.4752 14.9243 283.8242 16.4611 295.1063 3.4919 300.1132 8.3937 354.9861 6.1695 370.4144 1.9016 450.0817 4.0811 462.8159 0.2029 538.1583 6.7887 544.5356 2.5906 601.4198 0.0549 604.0065 2.9498 684.7966 7.0212 684.8304 11.5326 694.9564 6.4539 695.5921 6.9281 695.9713 0.0023 697.1862 0.0174 775.6151 24.3480 776.1594 26.9242 779.8531 4.4510 781.8615 21.0139 790.3427 35.1710 791.6303 23.6933 834.0886 0.2226 836.5129 1.2070 844.6131 0.0163 852.7737 1.4672 885.8927 19.0450 885.9935 199.4173 886.6519 99.7701 887.6848 112.7023 918.3610 515.3785 919.0373 61.8633 1013.4034 70.7796 1039.5232 11.0367 1056.5776 1.9316 1064.5747 2.5766 1088.8683 0.1323 1126.4721 111.5237 1137.3451 90.0090 1138.8167 583.6815 1162.3830 0.0105 1165.6901 0.4830 1170.5217 0.0755 1174.4229 183.1033 1183.5730 0.0531 1183.9693 0.2436 1187.5636 696.5800 1197.2653 0.0923 1236.9050 0.2577 1244.6736 0.1283 1253.7575 0.1879 1258.2385 24.1176 1307.9919 0.0003 1310.8666 0.0054 1314.1398 2.6955 1320.2973 5.8339 1329.9229 41.4846 1330.3626 38.1020 1330.8909 42.6672 1331.8702 35.8627 1338.9650 22.4625 1339.7810 19.9711 1346.4849 144.7088 1360.8557 0.3543 1380.6632 11.5373 1399.2715 12.0122 1444.2243 1.4749 1460.7043 2.1035 1480.5906 0.3815 1485.6122 0.2160 1485.9353 0.4028 1490.5790 0.2107 1491.0837 0.0316 1491.2076 0.1609 1491.5732 0.0181 1496.0943 1.5478 1498.6262 1.5953 1499.0798 1.4350 1499.6336 2.1326 1501.5207 3.2798 1509.3760 8.8897 1509.7095 8.3305 1541.7502 0.5707 1543.4593 0.1393 1548.0313 3.2778 1553.5003 4.1386 1555.4707 38.5252 1566.0428 0.0203 1568.4614 0.1117 1570.6734 0.0290 2988.3139 1.8690 2989.5341 0.8641 2990.9018 49.9878 2999.0555 6.9959 3000.1984 2.4339 3002.4088 173.3535 3015.4389 0.1151 3015.6233 45.2111 3015.8512 66.6108 3016.4028 0.0097 3023.8982 17.5547 3024.3448 21.3644 3040.3433 1.2519 3040.3771 1.7175 3041.9421 140.6775 3042.1198 5.7062 3042.2195 5.6024 3042.3371 62.1808 3047.2197 3.4674 3047.2811 3.3836 3060.7130 70.1277 3061.2603 91.9568 3109.3211 0.6613 3109.6519 0.6470 3111.8241 32.2219 3112.2461 29.1589 3117.1458 12.0877 3117.2565 12.7214 3117.6913 5.7929 3117.7053 8.1550 3119.5434 28.5536 3119.6007 31.2915 3125.5282 14.3422 3125.8179 14.6306 > 1.28408 GHz 0.03179 GHz 0.03170 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$