NIST 07241408303D 1 1.00000 -1290.34448 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 29 0 0 0 0 0 0 0 1 V2000 7.3519 1.0695 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3968 0.9537 1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9475 1.0830 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 0.8503 1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 -2.0302 -0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -0.5338 -0.2695 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -0.8142 1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5945 0.9750 -1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 0.8524 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3004 0.7958 -0.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1052 0.9936 -2.6874 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4017 0.8265 -2.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 0.3683 -2.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 -0.0850 -1.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4068 1.1534 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7011 0.9495 2.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6733 1.1764 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 0.7826 2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 -1.8661 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -2.9126 -0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 -2.2627 -0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 0.0942 1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 -1.6133 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 -1.1026 2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 1.1756 -3.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 0.0049 -2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 1.6474 -2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 1.1893 -2.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 -0.4493 -3.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 6 7 1 0 6 10 1 0 6 14 1 0 8 11 1 0 9 10 1 0 12 13 1 0 13 14 1 0 1 2 1 0 2 4 2 0 4 9 1 0 9 8 2 0 8 3 1 0 1 3 2 0 1 15 1 0 2 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 12 25 1 0 12 26 1 0 12 27 1 0 13 28 1 0 13 29 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. > 2014-07-24 > U347069 > B3LYP/6-31G* > 1.8034 debye > -1290.34447787 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.8795 0.3671 31.7522 1.0962 43.8327 0.5015 64.2545 0.2281 72.4938 1.9959 101.4170 1.2961 128.2415 0.0638 142.1452 0.0254 147.9896 0.0306 157.9785 0.4442 192.3204 0.5837 223.5649 3.9130 228.4636 1.5826 264.1399 0.6232 279.4292 1.0939 297.3591 12.8358 327.4832 17.1648 380.0851 1.0301 405.1716 2.2018 457.4875 4.8314 487.9745 8.5831 525.9398 12.8132 569.3788 1.8185 625.7974 4.2349 678.8353 16.9281 698.9240 6.3753 720.4468 5.0590 740.0771 12.2742 751.9083 4.1414 767.8394 17.9649 772.1185 44.5594 820.5534 108.1498 825.0849 4.2043 863.9216 17.1054 869.1669 76.2722 888.8191 78.9832 933.3850 254.2791 942.1464 81.5337 975.0402 1.4429 983.8895 115.4599 1059.3550 23.9524 1077.1640 21.7532 1119.6845 254.3548 1139.8559 161.4134 1154.6736 19.0270 1191.0240 1.2673 1193.1481 4.9525 1281.1691 30.3052 1315.4969 172.7994 1327.6874 2.1814 1333.3771 38.0629 1333.7789 51.3123 1340.4444 72.6117 1423.1671 5.4272 1450.0179 25.4763 1485.5705 17.6292 1487.9577 0.3245 1488.6318 1.8962 1495.4389 5.2109 1501.0227 4.6707 1513.9436 4.3435 1528.4694 197.6346 1529.1536 3.3869 1551.9202 2.2423 1626.3386 0.8578 1646.5402 43.8050 3023.0283 37.2827 3048.8118 1.6350 3051.0622 2.1200 3056.0797 21.9980 3075.5360 20.5728 3119.4063 2.9333 3122.8681 25.2866 3126.0210 28.6585 3130.7851 9.1715 3132.1145 7.7559 3135.3090 35.4051 3192.5757 2.4539 3206.1804 13.5807 3214.6980 12.7918 3223.1910 8.1408 > 0.83432 GHz 0.35846 GHz 0.28373 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$