NIST 06101516073D 1 1.00000 -1272.17713 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 50 51 0 0 0 0 0 0 0 0999 V2000 2.3878 3.3344 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 2.3604 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1388 1.0111 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0885 2.9638 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 1.5941 0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 0.6248 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 -0.6460 0.7426 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -0.4425 1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3948 0.8857 0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 1.5067 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 2.0231 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5548 2.8082 0.1882 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 4.1165 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6895 4.8127 0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 4.6531 0.5133 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 4.6259 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 -2.2220 0.7061 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 -3.5501 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5004 -2.2169 2.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8436 -2.4993 -1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 5.6529 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5425 6.3080 1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8895 6.9880 1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 2.7016 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9387 0.2865 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 3.6953 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -1.2868 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6398 2.3549 1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4234 0.7894 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 1.1960 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 2.6318 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3311 4.6387 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 4.2960 1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.4231 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 -3.5673 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 -4.5360 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2114 -1.3986 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0795 -2.1008 3.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0644 -3.1577 1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 -1.6979 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 -3.4445 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 -2.5451 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 6.5885 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 5.5296 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4192 5.6865 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 6.4422 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 6.7885 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7579 8.0562 1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5599 6.8950 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4005 6.5447 2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 1 16 1 0 7 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 16 21 1 0 9 10 1 0 14 22 1 0 22 23 1 0 1 2 1 0 2 3 2 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 6 5 2 0 5 4 1 0 1 4 2 0 2 24 1 0 3 25 1 0 4 26 1 0 8 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 14 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 23 48 1 0 23 49 1 0 23 50 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. > 2015-06-10 > R529012 > B3LYP/6-31G* > 3.1836 debye > -1272.17713095 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.6176 0.0193 21.0385 0.1979 31.4898 0.3662 42.5518 0.0969 44.0109 0.5037 50.0317 1.7336 71.7457 0.4359 75.2001 0.4975 93.4222 1.3329 98.5395 1.6845 117.2272 0.5756 122.9946 0.1482 146.8449 0.3240 151.2747 1.4123 154.7719 0.6962 174.3043 0.8464 184.3468 0.7807 187.0487 0.4995 192.9642 0.8839 196.3696 0.2932 209.7885 1.1809 246.1912 0.1377 246.8969 1.6444 252.6723 2.8940 264.0293 3.9183 271.2971 2.5037 295.2362 9.4021 328.7781 8.5444 349.4279 1.4380 352.3637 16.5615 398.5585 14.6546 427.1918 2.4741 441.0650 13.2060 449.4433 1.5678 475.5368 7.8130 519.9598 0.9047 556.5166 3.7819 584.0719 1.8822 604.9713 10.1633 615.4016 11.1416 626.9529 13.1024 658.9701 7.4151 694.6641 3.9838 695.8756 5.1985 699.3915 7.8268 707.9186 0.1512 725.9166 18.2002 756.3340 7.4772 768.2034 2.0110 780.1287 1.2427 787.3492 5.5936 797.9338 17.9502 799.1811 15.4925 809.8898 37.9271 819.5466 14.5668 884.5639 118.0093 889.5592 91.0505 891.7042 80.4694 895.2584 0.8657 896.6369 41.9015 902.8984 60.7767 912.0953 117.3122 923.6602 39.1837 927.1265 0.0861 992.1292 98.9399 1014.7561 43.6202 1050.9312 5.4856 1058.1469 4.7598 1069.9640 53.2710 1076.1859 32.8428 1117.3926 1.6543 1135.0517 1.6127 1138.7394 19.7059 1158.7646 18.3236 1183.3311 0.8517 1190.5787 255.9746 1210.2961 341.6782 1220.3664 1.1267 1248.0416 43.3445 1260.6552 11.5399 1265.5140 0.0351 1275.0834 328.0452 1319.9661 13.5904 1327.0479 1.8716 1333.0435 39.7735 1334.1573 38.6995 1337.9461 3.4434 1340.6884 13.3627 1341.5852 31.3353 1348.7131 18.2903 1355.9814 62.1787 1384.4170 9.8112 1398.7102 2.4846 1419.6586 33.1427 1439.3515 23.1588 1443.6640 0.9076 1484.8176 0.1256 1489.5033 28.2109 1490.2000 0.7643 1491.1200 11.7474 1491.4133 1.4863 1496.6623 17.5945 1500.8094 3.6985 1501.1360 88.4427 1508.8429 11.8936 1511.3980 3.1030 1519.4081 5.4563 1519.5064 3.7271 1522.5275 8.5245 1530.3992 6.1197 1532.1125 141.4747 1535.6816 3.5742 1538.0832 4.8214 1604.4346 4.1897 1635.1406 34.3449 1671.4688 48.6551 1806.5988 165.2077 3026.2151 51.8058 3041.1991 24.6552 3044.3665 13.7009 3046.0843 3.9995 3046.7523 4.2773 3048.6122 5.8156 3049.3221 27.2857 3062.6206 22.1527 3070.7473 3.1054 3083.5449 39.5396 3089.8153 11.6167 3090.2387 0.0384 3103.9838 29.4072 3113.4882 64.6793 3116.0848 0.8725 3116.1636 37.3027 3116.7294 2.3227 3119.4061 44.0866 3127.1831 9.3377 3128.5550 5.0028 3129.2914 18.0729 3150.6362 37.7566 3161.3463 13.0674 3196.3877 16.4731 3216.9488 13.8228 3221.0849 2.4137 3263.1445 2.9213 > 0.37368 GHz 0.10689 GHz 0.08662 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$