NIST 07251414093D 1 1.00000 -1833.82671 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 25 0 0 0 0 0 0 0 0999 V2000 -1.6055 -2.6824 0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6526 -0.8036 0.0537 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -3.1025 1.5840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 -3.1832 1.2120 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 1.9242 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 0.7870 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 2.2055 -1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 -0.0473 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.4766 1.5023 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 1.4139 -1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2951 3.2973 -1.9602 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -0.5167 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 0.2162 1.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 0.2817 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 -0.5220 -0.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 -3.3109 -0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 2.5559 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 -0.9352 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2871 1.6623 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1217 0.5339 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 -1.1282 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 -0.7556 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 1.2866 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8595 0.0225 2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 -0.0166 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 12 1 0 2 13 1 0 2 15 1 0 6 9 1 0 7 11 1 0 14 15 1 0 5 6 1 0 6 8 2 0 8 14 1 0 14 10 2 0 10 7 1 0 5 7 2 0 1 16 1 0 5 17 1 0 8 18 1 0 10 19 1 0 12 20 1 0 12 21 1 0 12 22 1 0 13 23 1 0 13 24 1 0 13 25 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. > 2014-07-25 > U299106 > B3LYP/6-31G* > 2.2756 debye > -1833.82670759 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.3805 0.2206 24.3447 0.2107 32.3316 0.4828 65.7967 0.3599 99.3236 1.1295 126.2451 0.0259 129.8943 2.0815 148.6019 0.4662 171.4744 0.4391 179.4283 0.5457 188.7391 0.3632 203.0833 1.4150 237.6286 2.1237 254.7947 0.1043 267.5072 5.7717 293.5103 12.8525 326.0472 6.3413 334.0195 13.2486 347.7458 7.4666 476.4526 11.1079 509.7136 6.7866 545.4205 9.4026 559.2108 1.6790 570.0133 9.4440 607.0693 0.0147 625.1457 0.2622 658.1324 23.8533 678.9179 0.7748 684.5034 77.8424 712.7143 11.0382 779.5350 0.7916 782.5231 6.5886 799.9392 4.8165 820.9984 40.7604 825.5240 83.1951 844.3227 11.7012 854.3618 26.2614 885.3032 225.2057 900.7087 142.4686 1022.1652 10.6426 1022.4324 39.5658 1050.4899 162.3272 1164.5509 102.2121 1182.9548 5.1967 1190.4502 408.3908 1245.0036 2.7220 1246.6247 13.8763 1336.3635 43.6699 1341.8043 28.9916 1361.3783 0.3835 1401.1152 53.4605 1484.5941 0.1246 1487.6182 0.7615 1493.3422 4.4306 1497.7170 0.2381 1504.0556 58.2836 1512.6876 171.2196 1658.4168 188.8431 1668.5375 309.2251 3053.8448 1.2778 3059.2284 0.6628 3124.9065 6.6003 3130.8253 5.8640 3140.6374 6.0532 3145.9058 3.3810 3148.0452 3.0559 3242.7364 0.1125 3249.2568 2.2164 3252.7869 0.4083 > 0.76070 GHz 0.22023 GHz 0.18300 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$