NIST 07301415273D 1 1.00000 -1291.06179 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 30 0 0 0 0 0 0 0 0999 V2000 7.5158 3.3307 -0.8381 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.1501 3.1749 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9524 3.3235 -2.9019 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 1.8701 -0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 4.9700 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4332 2.2151 0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 0.5764 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 2.0336 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7928 5.5909 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9411 5.5929 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8888 -0.5122 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3979 0.9452 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1601 6.7862 -0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3084 6.7891 1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -0.3290 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4162 7.3867 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9181 3.9204 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3953 2.1601 1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.4382 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5978 0.4189 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 3.0215 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5927 5.1425 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 5.1429 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 -1.5024 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 1.0937 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 7.2517 -1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 7.2554 2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -1.1771 0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9249 8.3196 0.5199 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 1 5 1 0 2 6 2 0 4 7 1 0 7 11 2 0 11 15 1 0 15 12 2 0 12 8 1 0 4 8 2 0 5 9 1 0 9 13 2 0 13 16 1 0 16 14 2 0 14 10 1 0 5 10 2 0 2 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 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. > 2014-07-30 > 18419-53-9 > B3LYP/6-31G* > 2.8386 debye > -1291.06178677 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.3444 0.0541 18.0200 0.0348 48.1071 0.0747 69.7384 0.1808 74.8497 0.4484 109.9889 1.6665 117.5226 1.2711 171.1028 0.8768 195.4510 1.3981 208.4117 2.5462 241.0813 0.7010 277.4367 1.6517 312.3724 1.9159 359.0166 9.5378 404.7435 0.0370 406.5159 0.1799 457.8035 22.3919 472.6583 19.2260 490.6677 14.6586 537.7426 108.6343 586.8701 132.9340 633.2301 0.4802 634.1694 1.8482 677.5231 40.7242 712.4468 22.4172 714.2298 19.4207 725.4907 46.9400 733.8744 101.2585 759.0758 12.5077 762.6195 1.1799 871.8479 0.0657 874.5525 0.0126 939.8325 0.0339 941.9544 0.1656 979.2800 0.0817 982.1282 0.0153 1002.0120 21.4725 1004.9387 0.1818 1006.0144 0.0827 1014.5330 4.5291 1015.0165 0.8964 1034.0989 9.8316 1050.5066 14.1935 1055.4206 0.1810 1056.8312 0.1001 1108.2939 0.2017 1108.6904 0.3005 1128.6742 32.2900 1137.0102 84.2721 1195.8380 0.2451 1195.9600 0.1961 1225.1561 9.9617 1226.6910 2.6161 1305.3825 4.8537 1322.1945 4.9457 1323.7295 3.1230 1371.4505 1.1869 1372.1251 2.3168 1463.8419 16.0441 1475.5338 19.3941 1475.9180 17.1833 1535.5686 0.4972 1536.5146 1.2310 1627.7619 0.3588 1627.9949 0.7491 1649.9674 3.1914 1650.5872 3.2394 1676.6580 14.8282 3131.3814 9.2252 3147.8367 16.2796 3176.5239 2.2646 3178.6205 0.8198 3183.0214 0.2792 3184.5481 0.2718 3191.2244 8.2567 3192.5057 8.8238 3199.5841 34.7956 3200.5267 35.5397 3208.7397 36.2289 3209.1323 16.7540 3223.0148 14.1727 > 0.58620 GHz 0.30920 GHz 0.26933 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$