NIST 07271519253D 1 1.00000 -1227.48383 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 65 64 0 0 0 0 0 0 0 0999 V2000 -7.9096 3.6031 -3.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2556 2.1549 -2.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3460 1.9444 -1.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6474 -3.3551 -5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3399 -2.6059 -3.3603 Si 0 0 0 0 0 0 0 0 0 0 0 0 -7.4195 -3.4031 -2.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6228 1.1766 -3.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8426 -0.3054 -3.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5761 -0.9525 -3.3653 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9132 -1.5214 4.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0736 -2.0192 3.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -1.6561 3.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7395 -2.1518 2.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0376 -2.3220 -1.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7294 -2.8406 -3.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 -2.7034 -2.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7352 -2.1912 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 -2.5621 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -2.0570 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0764 -2.4238 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 -1.9226 1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 -2.2869 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -1.7886 2.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7879 4.1654 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5723 4.0943 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1201 3.7093 -3.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1024 2.4682 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2967 2.3675 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5207 0.8929 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9814 -2.9048 -5.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4589 -4.4349 -5.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6806 -3.2012 -5.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1998 -3.0025 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2548 -4.4867 -2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4876 -3.2399 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8505 1.4506 -4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4889 -0.5689 -2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3477 -0.6597 -4.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9681 -1.7969 4.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8623 -0.4292 4.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5578 -1.9472 5.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1736 -3.1107 3.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 -1.6038 2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4878 -0.5637 3.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 -2.0709 4.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8403 -3.2442 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 -1.7374 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1479 -1.2297 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4726 -2.7305 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -3.7971 -2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.3046 -2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 -1.0974 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -2.5923 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1535 -3.6554 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 -2.1590 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4909 -0.9639 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1825 -2.4637 1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1755 -3.5168 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -2.0157 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8199 -0.8299 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 -2.3333 2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5071 -3.3794 1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 -1.8749 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 -0.6963 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -2.2021 3.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 23 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 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. > 2015-07-27 > U347972 > B3LYP/6-31G* > 1.7644 debye > -1227.48383260 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.8651 0.0758 15.3020 0.0931 16.9356 0.0184 20.4962 0.0794 23.6709 0.0584 30.1205 0.4682 42.0251 0.1115 47.7046 0.0109 53.5622 0.6106 63.8634 0.3122 70.3969 0.6800 82.4120 0.0153 87.9353 0.2420 90.4267 1.3767 117.2448 0.4848 118.5475 0.0520 121.5113 0.3845 128.1857 0.1236 137.4447 0.0341 140.5687 0.4968 149.2278 0.7574 150.6096 0.0301 154.8289 0.0568 159.1516 0.6731 172.6463 0.0045 176.3205 0.0093 195.4872 0.7605 199.5435 0.5932 206.6201 1.0084 226.5912 2.3672 248.9821 0.9286 253.8074 0.0135 263.4869 5.5783 279.7926 1.9530 305.2903 8.0884 319.0753 2.4385 344.6498 13.8300 366.6686 4.8761 394.9079 5.1022 416.6023 1.4750 428.9377 4.1490 461.6261 0.2844 473.3399 3.7358 504.5145 0.7283 514.8151 0.0289 523.7112 6.7648 628.6658 3.0740 691.9635 5.3577 737.3820 5.7897 737.7863 0.6087 741.0253 2.3174 749.8950 0.0417 765.4620 0.8481 766.9791 0.3807 773.3411 17.5969 788.6803 4.4893 793.3848 0.6930 800.7871 14.6344 813.0440 109.2671 831.4729 0.1912 869.7811 43.6348 877.7154 0.7194 899.3883 153.1985 904.8935 2.4542 913.8282 225.2185 929.6988 1.2663 974.6792 0.7240 982.3039 0.6882 988.1986 1.8576 999.2396 5.0938 1005.1736 13.0176 1017.6215 2.3404 1030.0653 9.0346 1030.7801 0.0242 1035.4802 7.1226 1053.2148 0.3479 1066.5527 14.8925 1067.9060 21.1265 1068.7456 0.1056 1070.5810 2.6024 1073.8005 0.0712 1075.4798 1.3324 1078.5061 1.6870 1096.5825 597.8932 1117.4114 22.5663 1118.7558 1.3241 1129.5604 336.5168 1152.5150 18.7249 1152.8149 0.1580 1205.7255 0.7576 1224.1126 0.1770 1231.6314 4.8486 1236.2426 3.5819 1246.4532 0.0719 1265.4905 1.0593 1272.9482 0.0820 1292.1080 9.3037 1295.5280 0.5813 1299.3185 0.0361 1322.6548 0.5693 1325.9216 0.4836 1332.3713 36.0070 1335.2232 13.8216 1337.9587 38.5018 1339.9431 1.2212 1340.8883 0.3316 1347.6100 0.1090 1351.4596 0.2328 1355.6838 0.0294 1356.1006 1.2250 1357.3021 0.0263 1373.3307 17.3770 1383.9279 0.0504 1405.9717 2.5511 1421.4303 0.1627 1426.1103 0.2550 1428.5856 0.8598 1428.9839 0.1639 1434.3574 28.8286 1439.9453 6.1913 1441.6609 0.9438 1447.8117 27.0347 1451.8733 3.6527 1489.2817 0.3518 1492.1997 0.3518 1499.4497 5.3313 1501.9264 4.7210 1502.4812 0.9745 1512.6543 0.0409 1512.7974 0.0082 1515.0152 0.0680 1515.5663 0.0089 1515.7786 3.4559 1517.5407 0.0731 1519.2017 0.5927 1520.4265 13.5530 1523.2950 0.0286 1525.2823 3.7768 1528.3485 0.7301 1530.3331 5.7147 1533.7260 0.1591 1537.0476 5.4372 1538.7250 0.8348 1542.7744 0.2845 1545.4841 5.1573 1552.8682 2.7043 1759.0779 11.2279 2978.5289 52.3686 3001.3690 26.6186 3009.3105 0.0288 3009.6948 0.1016 3010.9809 2.4076 3012.3138 0.9872 3013.5772 0.4330 3014.7189 2.8274 3017.5952 6.0219 3022.5245 0.3048 3025.7595 25.5651 3026.7863 26.7872 3029.2685 245.2662 3030.2995 0.3625 3030.8698 0.8306 3032.6516 0.5143 3033.8420 45.2051 3035.6341 0.2883 3040.4044 4.0807 3041.0229 42.7419 3041.7134 35.9515 3042.3719 12.1181 3047.7484 2.4807 3048.6048 3.4800 3051.2680 25.3082 3055.5770 44.7621 3056.4331 0.5658 3064.4657 6.3802 3070.1808 12.2948 3071.5849 1.7134 3075.6727 39.7854 3077.2519 227.5400 3089.6251 119.1053 3105.6711 70.3625 3110.1702 46.1668 3111.1582 15.4312 3117.5569 16.8004 3119.3544 22.5744 3126.7620 20.6880 3130.6746 10.4039 3141.6627 27.1181 3158.4165 20.1535 > 0.40491 GHz 0.03311 GHz 0.03125 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$