NIST 07091511333D 1 1.00000 -1023.35071 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 20 0 0 0 0 0 0 0 0999 V2000 16.9391 17.9088 0.0079 Si 0 0 0 0 0 0 0 0 0 0 0 0 18.5344 18.4494 -0.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9084 19.4793 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5839 16.8870 -1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6202 16.8734 1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6735 17.6086 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8938 18.5208 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4200 17.5412 -0.0404 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.9033 19.1551 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9157 19.1466 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8360 19.2493 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1298 20.0869 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1086 20.0941 -0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5334 16.5710 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1964 15.9786 -1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7752 17.4672 -2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8305 17.4460 2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5711 16.5549 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2354 15.9659 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7034 16.9583 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6905 16.9671 -0.9131 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 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 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. > 2015-07-09 > 18157-17-0 > B3LYP/6-31G* > 2.4132 debye > -1023.35070644 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.8307 0.0294 42.1726 0.2642 70.9324 0.2216 120.1845 2.2129 131.5210 2.1731 149.0724 0.0487 150.2785 0.0038 177.3071 0.2575 191.3868 0.5578 198.1094 2.4151 231.1701 4.1269 281.6029 16.3055 319.6981 2.6022 348.4656 11.9361 595.5107 1.8212 685.2166 8.7306 692.1898 6.0193 695.5130 0.0394 718.5734 17.7717 774.2759 27.5518 786.7940 31.2835 803.8776 43.3604 806.7144 0.0424 885.8685 106.9234 886.5725 110.7166 915.7319 263.3065 1074.9464 2.8449 1075.3588 5.3189 1127.9988 381.4247 1224.2826 0.5743 1300.4795 25.9371 1324.6331 7.5372 1330.1934 37.4949 1331.0567 36.4983 1339.9326 20.3772 1437.3474 12.0634 1485.2591 0.1753 1490.1953 0.2065 1491.0202 0.0664 1498.3657 1.8561 1499.1164 3.7027 1509.2501 9.0886 1519.1497 4.7350 1549.3367 3.9324 3020.3506 27.8035 3040.5839 2.6744 3042.4268 5.0362 3047.4340 2.8854 3061.3685 32.8745 3109.4002 0.2611 3111.9861 27.4174 3117.4295 7.2586 3118.1439 6.6913 3118.2795 15.9780 3119.9555 30.9338 3125.7930 13.8079 3181.9123 9.3466 > 2.79778 GHz 0.50767 GHz 0.50178 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$