NIST 07131504193D 1 1.00000 -2281.56173 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 67 66 0 0 1 0 0 0 0 0999 V2000 1.9620 0.0410 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5877 -0.6287 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -0.0240 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 1.3298 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 1.0974 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 1.1722 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 2.0463 1.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -2.0221 -0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9983 -0.4803 -0.1357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 1.2834 -1.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 0.7753 -1.5698 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 0.3819 -2.6759 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 0.0093 -4.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4348 1.8800 -2.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -1.1320 -2.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 1.9727 2.9713 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 2.5650 4.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 3.1781 2.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 0.2260 3.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 -3.1204 0.6149 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -3.7164 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 -2.4687 2.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -4.5673 0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 2.3121 -1.1814 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.4959 1.5027 -2.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 3.8653 -1.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0287 2.6442 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -0.4152 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 -0.7809 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 0.1371 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 1.9397 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 -0.2572 -5.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 0.8769 -4.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -0.8285 -4.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8635 2.7560 -3.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2062 1.6851 -3.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9332 2.1317 -1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 -1.9779 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -1.4430 -2.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7221 -0.9245 -1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 2.6337 5.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 1.8839 4.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 3.5580 4.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 3.2534 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 2.8639 1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 4.1826 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -0.4720 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 0.2343 4.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4512 -0.1634 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -4.5382 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 -4.0920 -1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8099 -2.9090 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 -3.2670 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1768 -2.1428 2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -1.6315 2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0442 -4.9434 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 -5.4012 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5108 -4.2738 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 2.1666 -2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 0.5654 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0187 1.2819 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2975 4.6261 -2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7807 4.3022 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 3.6534 -2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 3.0860 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 1.7203 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 3.3469 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 6 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 31 1 6 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 7 16 1 0 0 0 0 8 20 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 13 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 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. > 2015-07-13 > R101263 > B3LYP/6-31G* > 2.7520 debye > -2281.56173423 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.9082 0.2398 14.7055 0.0759 20.6651 0.0215 25.4656 0.3683 25.5535 0.3897 34.8336 0.0822 36.6977 0.2667 40.2573 0.0060 44.6555 0.7261 60.8217 0.0182 61.5051 0.1410 80.5358 0.0575 93.7172 0.4252 99.3352 1.0289 113.7380 0.2519 120.9681 1.8194 122.5504 1.7937 126.8744 0.0163 130.6572 0.1131 131.6001 0.0271 134.4549 0.1019 145.5700 0.3797 147.1673 0.0160 149.4204 0.0518 151.1305 0.1971 154.9403 0.1879 157.9017 0.0463 158.8550 0.1258 160.3759 0.1422 163.7025 0.4262 174.9663 0.1078 176.0826 0.0167 177.8511 0.0360 190.4183 0.1484 190.6186 1.5335 194.6693 2.2940 195.3005 3.9580 200.1288 3.5578 205.9188 0.0554 215.1458 1.9856 222.2086 3.8470 226.1899 2.5567 228.7843 5.9917 231.9518 6.4780 242.4799 1.3575 251.0864 11.3024 253.4957 6.4160 263.1053 23.3884 264.1312 3.9917 296.5855 5.9750 300.8159 2.1789 312.9137 22.2663 323.1234 2.8566 333.7995 2.1731 387.3319 30.5410 436.0362 4.2919 508.1410 10.3566 576.5907 1.1785 583.7249 0.8834 605.7605 0.0579 607.9089 1.2014 672.7854 45.3196 679.9674 26.7090 683.7129 34.1918 685.2135 9.3416 688.2853 7.2364 689.0202 3.5111 694.0157 46.0529 701.6759 2.7986 701.7799 1.9487 702.6585 5.8773 703.2895 5.5577 703.8790 0.1607 705.0407 0.9801 709.9909 12.0365 710.6894 63.3047 711.5518 8.7900 750.6540 1.9295 754.3456 3.4173 762.8827 63.2241 782.0380 2.0242 784.0855 66.2205 785.9556 17.3885 786.2701 3.5106 791.1151 29.3735 791.7660 30.7016 795.4629 22.3911 800.0834 7.6051 808.1147 8.2766 858.0009 16.4092 886.7279 107.7157 887.4292 190.8748 889.4662 138.4757 890.4298 98.2190 892.2977 70.4991 893.9331 199.9171 896.2820 344.1961 898.1211 79.8883 898.3202 149.0743 903.2664 449.3184 914.6255 56.5585 924.4142 111.2619 927.0456 47.7020 1021.4076 16.3647 1062.1745 4.4270 1063.1213 30.5837 1173.5044 638.9601 1186.7037 210.9710 1212.2504 414.1971 1234.0406 272.4443 1269.4808 127.9878 1320.9869 47.1759 1321.5261 29.4249 1324.8723 30.3914 1326.3825 22.3923 1329.3106 45.1829 1329.6328 45.8737 1331.5461 36.7566 1332.1360 7.0485 1334.1706 41.9140 1335.9259 52.6509 1337.9358 61.8083 1340.9896 38.7787 1341.4522 16.8361 1366.7326 79.7467 1376.8521 2.0569 1425.8428 19.0629 1426.9260 15.3766 1481.4686 0.1039 1481.6496 0.0539 1484.1606 0.3451 1484.6713 0.7068 1490.8777 0.5000 1491.4338 0.5258 1491.8717 0.8971 1492.1402 0.7301 1493.3450 3.6072 1493.5814 0.8540 1493.6910 1.3583 1494.4315 8.3888 1494.7291 0.6291 1495.0278 1.4193 1496.1437 5.2603 1497.6667 4.1970 1499.8279 1.9699 1500.0498 0.6365 1504.4117 2.4125 1504.9387 1.5053 1511.4179 13.9481 1511.9848 15.0325 1515.3270 8.5541 1515.5604 10.4509 1523.4402 6.2722 1791.4312 378.2841 1794.8609 143.8824 3040.5240 3.2776 3040.5667 4.0586 3042.1976 7.8633 3042.7676 9.2894 3044.7537 11.2259 3045.1027 10.2202 3046.8916 1.7801 3047.1163 1.6304 3048.0769 3.6228 3048.3433 3.5911 3049.9808 5.9598 3050.1350 5.8445 3068.6545 6.2357 3087.2669 2.8932 3094.8768 27.7357 3106.1989 16.6944 3106.6741 7.0921 3107.4000 8.9031 3107.5799 8.9925 3112.6581 52.0626 3112.8737 33.9003 3115.8138 3.3443 3116.0323 3.4033 3116.2388 5.6147 3116.3050 4.0760 3118.4423 20.6968 3118.5232 16.6498 3119.6911 48.5345 3119.8835 1.9132 3120.1062 18.1790 3126.5245 10.9038 3126.7047 10.9069 3141.3783 9.0858 3141.7143 9.2149 3143.5388 1.5907 3143.7664 1.7073 3144.7125 8.2159 3144.8871 8.5349 3150.6303 8.9854 3150.8789 9.0626 > 0.13064 GHz 0.09489 GHz 0.09427 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$