NIST 07021513123D 1 1.00000 -1216.85836 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 48 49 0 0 0 0 0 0 0 0999 V2000 -3.7067 0.7173 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 -0.5210 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8662 1.8180 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -0.7089 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4987 1.6919 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9783 0.4310 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 0.2641 -0.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5185 1.4751 -0.8437 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 2.8339 -0.3372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 2.9383 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 -2.0683 -1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1762 -2.5619 -1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 -4.0039 -1.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 4.0115 0.2098 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 1.7415 -2.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 1.0604 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 0.6166 1.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 2.3169 0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -0.0815 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 2.7259 -2.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 2.3304 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 0.3941 -3.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7642 0.8166 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8357 -1.3860 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 2.7998 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2215 -2.7766 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 -1.9112 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -4.5902 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -4.1082 -2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7778 -4.4623 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -0.2945 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 0.4101 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 1.3949 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2236 2.6589 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 3.1509 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 2.0878 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3669 0.2012 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -0.3408 0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 -0.9926 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 3.6927 -2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 2.3288 -2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 2.9176 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 3.3105 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 2.4578 -4.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 1.6698 -3.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 -0.3283 -3.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 0.5532 -4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.0626 -2.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 11 12 2 0 12 13 1 0 10 14 2 0 8 15 1 0 8 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 15 20 1 0 15 21 1 0 15 22 1 0 9 10 1 0 10 5 1 0 5 3 1 0 3 1 2 0 1 2 1 0 2 4 2 0 4 6 1 0 5 6 2 0 6 7 1 0 7 8 1 0 9 8 1 0 1 23 1 0 2 24 1 0 3 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 13 29 1 0 13 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 22 48 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. > 2015-07-02 > R41114 > B3LYP/6-31G* > 3.9749 debye > -1216.85835510 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.9713 0.6444 30.1382 0.1817 39.6408 0.0292 42.0053 0.0333 53.9149 0.5817 85.6043 0.3053 89.5839 1.0818 120.0576 0.0163 138.4348 0.0502 144.4829 2.2999 174.4722 0.2967 195.1118 1.9436 204.8343 0.0129 220.8864 0.1470 228.4690 0.8768 232.2832 0.4487 237.7315 0.3642 246.8704 0.2054 250.2146 0.0629 255.5489 0.0057 265.7933 5.3122 285.2041 0.2451 288.0229 0.0292 291.9567 0.3694 296.5653 0.2208 320.6791 0.2422 328.9885 4.8818 332.3663 0.8587 371.3529 0.5072 373.2719 0.5990 387.3943 0.0431 392.4716 0.8134 406.7777 0.3368 441.7878 7.3117 442.8166 28.5092 456.5176 14.9561 507.7081 0.4577 529.9055 3.2321 550.8354 8.9776 562.1122 0.0652 591.5565 5.3546 637.9091 74.7266 655.6407 71.4740 676.9790 4.9746 719.7841 4.3617 763.9752 42.2747 781.6633 49.6361 805.2620 5.0185 824.6908 20.8021 834.0701 62.3099 848.8417 0.6065 884.5490 89.5193 920.2034 115.4446 947.7991 0.1006 951.0594 4.5744 952.9789 3.9527 954.0843 8.1163 958.8313 1.5919 959.6769 6.1098 976.4752 0.0520 978.8283 0.2076 982.3631 0.0520 1011.1744 84.7965 1017.1545 27.2518 1037.6514 6.4038 1039.3617 0.3657 1043.0826 2.8382 1048.1299 9.9761 1074.4337 0.0965 1114.1912 123.0260 1120.6948 109.2298 1147.4152 15.3443 1204.4540 5.0058 1217.9178 1.3059 1222.4879 1.0257 1226.1307 6.1540 1229.1159 2.9076 1246.8131 18.5432 1252.0215 4.1207 1253.0532 19.5315 1265.8178 6.0323 1315.7795 504.2256 1331.9122 1.5855 1348.2861 7.4557 1392.7020 22.7046 1425.3975 0.6410 1426.9292 0.5491 1430.0636 0.4172 1431.6377 5.7427 1441.0337 8.5112 1457.5272 5.3846 1464.4539 5.0710 1480.3260 160.0308 1507.6695 6.3710 1510.9248 3.2815 1511.9301 110.2018 1513.8563 1.0939 1517.0295 0.3079 1519.4469 1.2956 1521.2835 3.4581 1522.0802 1.6689 1522.2362 0.9313 1534.5516 4.9245 1535.4566 0.7926 1538.4255 8.6631 1543.2322 9.2829 1547.3811 29.3945 1550.4221 11.1450 1632.5386 6.3724 1637.4813 73.3326 1723.6511 10.1003 1816.1222 388.2160 3026.6326 42.5027 3028.3265 18.8158 3029.3983 18.6606 3032.0088 21.7083 3032.8319 23.2855 3036.2436 83.4182 3038.3642 27.1951 3070.1996 23.4953 3087.3827 29.5282 3090.1399 36.0447 3095.4249 12.7963 3096.8901 26.1582 3099.0930 57.5945 3102.0792 22.6955 3108.1682 22.6013 3112.9453 11.5562 3114.5633 16.9008 3122.6923 14.4668 3123.7035 18.4960 3124.7451 28.1671 3128.7924 29.6094 3129.0761 29.2360 3184.0577 12.5063 3209.1538 19.1715 3233.4573 6.8490 3236.1559 3.9802 > 0.31555 GHz 0.23857 GHz 0.18796 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$