NIST 06211414203D 1 1.00000 -1730.04563 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 30 0 0 0 0 0 0 0 0999 V2000 6.7536 1.7062 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8805 0.6239 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 1.8060 -1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 -0.3227 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3650 0.4580 1.3520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -2.8268 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0384 -1.0490 0.0084 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.1389 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5338 0.8798 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3651 3.1510 -2.2858 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 -0.1913 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 -1.1492 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7978 0.7790 -1.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -0.5302 -1.5052 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 -1.3224 -2.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5456 2.4356 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9902 -1.1569 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -3.5157 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 -2.9343 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0338 -3.1522 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 1.1366 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 0.2480 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8755 -0.2478 2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 0.9754 -1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 1.3395 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 1.3861 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.6788 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -2.3103 -2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 -1.4683 -3.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2161 -0.8365 -3.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 3 10 1 0 6 7 1 0 7 8 1 0 7 12 1 0 7 14 1 0 11 12 1 0 13 14 1 0 14 15 1 0 1 2 1 0 2 4 2 0 4 11 1 0 11 9 2 0 9 3 1 0 1 3 2 0 1 16 1 0 4 17 1 0 6 18 1 0 6 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 13 25 1 0 13 26 1 0 13 27 1 0 15 28 1 0 15 29 1 0 15 30 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. > 2014-06-21 > U347528 > B3LYP/6-31G* > 3.5238 debye > -1730.04562961 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 2.6824 0.0787 32.7978 0.0695 56.1077 0.3900 58.8100 0.0834 103.2613 2.4394 127.8209 0.0911 145.4152 0.1517 159.1347 0.4368 161.6621 0.6467 168.1486 0.0899 186.7121 0.0530 205.3083 1.6097 207.2413 0.2552 210.6706 0.5247 213.0000 0.7398 233.2809 1.0642 265.0150 5.2855 275.2530 4.9135 343.0574 31.5194 351.3781 2.4183 374.2499 7.5203 396.7245 2.2565 429.7341 6.3761 449.6608 11.1022 541.2495 1.1245 542.4651 4.8137 595.2718 3.0642 598.5796 5.1023 680.1927 4.0791 696.7463 14.4930 705.2774 11.0710 748.9245 29.7546 789.9498 3.4999 806.6812 90.0771 820.6721 82.2384 841.3500 35.7925 866.0905 13.1001 873.5219 90.9174 878.0402 193.2847 882.9539 89.5445 983.5139 368.5273 1012.5437 15.9876 1018.8020 140.0833 1103.4315 9.6128 1122.2195 36.3659 1127.6708 16.9829 1136.7131 0.1750 1185.4028 0.9774 1210.5889 73.3620 1271.4693 1.2008 1302.8500 185.6965 1335.5471 34.4378 1337.1476 44.1045 1342.8900 20.6404 1345.2090 59.3277 1464.3640 24.1390 1476.3357 7.7321 1482.2106 191.2174 1488.0849 2.0615 1493.0148 1.0657 1497.0329 3.5748 1499.0832 15.3089 1508.6363 3.9006 1513.5874 2.6604 1518.8675 8.7309 1539.8660 14.4929 1559.1537 4.9420 1610.3163 140.5971 1638.1992 293.0977 2984.2689 56.1926 2998.1225 88.8514 3029.6167 104.4165 3039.3296 22.7507 3051.8373 1.7853 3054.4895 2.6270 3124.1078 2.0416 3125.4121 22.2507 3127.4644 7.0878 3129.1118 19.2234 3132.3693 16.6036 3144.0021 18.6597 3242.9680 0.3913 3250.1199 0.6870 3253.9238 0.0941 > 0.56886 GHz 0.25066 GHz 0.19230 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$