NIST 07021513093D 1 1.00000 -1427.99453 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 44 44 0 0 0 0 0 0 0 0999 V2000 -0.3638 1.5288 0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 0.3495 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 0.1953 0.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 -0.6859 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 2.8884 1.1339 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.1561 -2.0501 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 -0.2880 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 3.4424 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0212 4.1765 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 2.4547 2.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -2.5160 0.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 -2.9742 -1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4388 -1.2151 -1.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 -2.7926 -0.1555 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -2.5702 -1.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5585 -0.9165 -2.6383 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4978 -2.4178 1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 -4.6203 -0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 -1.7303 -1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9804 0.4362 -2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9263 0.7616 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 4.3587 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 2.6702 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 3.6564 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 5.1194 1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9417 3.8374 1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 4.3923 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 2.1364 3.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 1.6425 3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0669 3.3232 3.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -4.0240 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -3.2880 -2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 -2.6201 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 -1.3661 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1611 -3.0317 2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 -4.8867 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 -4.8692 -1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3096 -5.2617 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 -0.6673 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0243 -1.9661 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 -1.9052 -2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8804 0.4496 -3.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2214 0.8180 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2183 1.0830 -3.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 7 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 13 2 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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. > 2015-07-02 > 55517-47-0 > B3LYP/6-31G* > 2.2524 debye > -1427.99452605 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.6400 0.1380 29.6863 0.3285 33.8197 0.5440 43.7784 1.3776 47.3022 0.0259 65.0946 1.6483 85.1239 1.1887 102.7041 3.6521 129.9853 0.3477 131.1038 0.3478 133.4349 0.6223 140.3568 0.2316 141.4686 0.0913 147.0957 0.3394 152.6451 0.1370 153.7139 0.0965 160.3247 0.5981 166.5615 0.1416 176.2989 0.3491 187.8503 1.9377 199.3230 0.1836 202.4497 2.9000 216.2889 0.7655 226.1103 2.5274 244.8128 11.6289 253.0166 5.9006 268.5167 4.2077 284.5721 15.2991 289.9939 13.6572 312.9922 6.3581 361.2426 6.2230 414.0912 4.6926 419.8731 0.5737 466.1549 3.6686 477.9340 4.3513 535.9977 6.1103 570.8081 5.2456 590.7298 2.7720 608.7696 2.6228 665.3452 15.7803 686.3634 5.3529 690.1339 18.3619 698.7126 8.3003 699.7936 4.0431 700.4279 7.9980 704.5773 1.6685 708.8233 0.1532 713.2485 11.5146 758.7838 40.2917 769.3622 5.7853 778.7928 22.8578 782.8600 7.9477 793.5059 4.2533 801.0912 35.0905 816.7274 43.9333 851.3667 25.5982 878.0883 24.7656 890.4240 5.0895 891.4491 225.4474 894.2332 17.8619 896.7157 106.1599 897.0381 219.2552 901.6733 347.0752 927.2978 348.8727 959.4237 9.2667 961.4105 110.8704 1083.0028 126.9830 1094.0576 89.1725 1162.7216 9.6357 1186.5993 0.6724 1221.7944 44.9341 1262.3332 689.8977 1275.3068 166.2978 1308.6108 22.2226 1315.3771 232.8585 1325.2313 15.1802 1326.4816 28.9561 1326.9177 75.0258 1330.1360 59.1915 1336.4435 93.2380 1339.2391 42.7375 1377.0376 62.8119 1451.8102 57.3576 1481.8454 0.0829 1482.7632 0.0840 1492.0585 4.5845 1492.7028 0.7016 1492.8516 0.5899 1493.4015 1.0508 1493.7996 4.0049 1494.2771 8.0805 1500.4122 1.1533 1500.8844 41.1869 1502.4370 4.7202 1512.5844 9.1559 1513.4489 10.6265 1520.8468 6.0031 1532.6205 205.1636 1543.6682 125.0315 1618.7786 31.7311 1667.7689 25.8092 1758.2654 331.0001 3023.4102 49.8863 3038.3679 4.6217 3045.5404 2.3116 3046.6768 5.2483 3047.1139 5.6488 3048.8210 9.6660 3049.1155 6.6543 3080.9707 41.9056 3107.7909 7.8560 3112.6296 19.2296 3113.2880 6.0741 3114.8023 4.0048 3115.4452 15.2852 3117.4883 26.4518 3118.0482 33.9748 3124.4410 14.4036 3145.0268 2.2758 3145.3849 2.3846 3146.2568 14.3839 3146.5830 5.4512 3156.1697 30.2353 3205.3555 8.1035 3220.1601 8.4430 3262.9569 3.8677 > 0.28479 GHz 0.22426 GHz 0.13785 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$