NIST 07011510113D 1 1.00000 -1314.13064 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 58 58 0 0 1 0 0 0 0 0999 V2000 5.8365 0.6580 -0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 -0.3640 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -0.4785 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 0.8680 -1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6842 1.6669 -2.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 2.6289 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3799 2.1268 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6274 1.5123 -3.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2957 2.1656 -4.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 0.5399 -3.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 0.2228 -5.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 -0.8829 -5.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -0.3031 -5.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 1.4503 -5.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5846 -1.3487 -0.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3149 -0.0395 1.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 -0.8812 2.8271 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7703 -2.5178 2.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 -1.2505 2.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1872 0.2765 4.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 1.5675 4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 0.6548 4.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -0.4415 5.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 0.5289 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1776 0.3993 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 -1.3597 0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8312 -0.9580 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9087 0.6530 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 1.4539 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 2.8290 -2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1452 3.5808 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2528 2.7765 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 2.2632 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 -0.5182 -4.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -1.2209 -6.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -1.7407 -4.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 -1.1560 -5.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -0.6437 -6.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 0.4748 -5.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5871 1.1734 -6.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0134 1.8219 -5.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 2.2497 -5.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4924 -1.0292 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 -3.1769 3.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 -2.3695 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8721 -3.0510 1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8405 -1.7805 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1794 -0.3399 2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -1.8938 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 2.2439 5.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1001 1.3624 4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9257 2.1083 3.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.3228 4.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 -0.2250 4.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 1.1764 3.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7845 -1.3550 5.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 -0.7160 5.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 0.2160 6.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 1 1 0 0 0 0 2 16 1 0 0 0 0 2 26 1 6 0 0 0 3 15 1 0 0 0 0 3 2 1 0 0 0 0 3 27 1 6 0 0 0 4 3 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 4 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 6 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 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 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-07-01 > R500264 > B3LYP/6-31G* > 2.7260 debye > -1314.13063857 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.3425 0.0184 22.0341 0.0956 25.2773 0.0393 43.8309 0.1766 46.9202 0.0759 49.3031 0.5072 72.7639 2.3859 86.9099 1.6665 96.8983 0.6401 122.5377 0.2089 135.0030 0.7278 150.6762 0.4595 155.6751 0.2170 162.4918 0.2189 166.8253 1.4091 189.1295 0.7554 199.6309 1.7507 208.7328 0.4671 211.2983 0.1909 225.9244 0.1503 242.6717 4.0429 247.3955 0.3088 251.6786 2.1749 263.9782 1.1565 273.7209 2.3341 279.2747 2.6040 281.4806 0.1313 288.7922 1.2977 296.7618 0.9429 307.8826 4.6046 309.0819 7.2623 333.0021 7.1406 348.2042 23.8738 352.5507 3.0997 362.6314 6.4362 374.1773 5.7479 392.3894 3.9940 397.1489 1.0255 408.2068 2.0764 425.7389 3.8209 437.8358 9.1367 460.5180 3.0215 480.8336 134.5008 492.0812 21.3124 546.8365 1.4774 564.4244 11.1211 573.1769 2.4864 601.9144 7.4095 670.6959 19.4198 683.7201 7.0884 708.0115 10.3633 759.4792 1.1819 760.8733 19.6540 765.5429 4.0561 789.0263 10.3262 795.3142 8.5346 800.4802 51.7689 829.3419 3.2958 841.0611 2.9345 860.6571 99.0249 869.4683 45.5032 879.7088 105.7771 890.0649 67.5657 913.1872 24.0747 934.1005 2.4149 935.3802 0.2328 954.0006 11.0871 955.8067 3.1289 959.1664 63.1638 972.9475 0.0349 981.5668 0.4207 985.9634 108.4695 1018.7612 13.7957 1027.0525 272.6768 1040.2358 5.7114 1044.1443 3.0656 1066.5570 0.2015 1069.3255 4.1639 1078.9723 25.8777 1100.1527 66.3085 1111.7201 76.7139 1132.5313 35.4307 1159.0294 82.6102 1208.5401 440.6247 1215.5599 114.3328 1224.2398 0.0473 1225.7545 0.2248 1250.0019 4.8117 1251.0539 23.1578 1260.2059 68.0875 1271.3444 17.0971 1283.4580 14.6733 1289.9178 31.6472 1300.4316 30.2695 1317.3725 13.5314 1331.2863 37.6378 1337.9489 35.4612 1353.1010 22.9904 1371.5522 15.1369 1388.6383 61.2979 1396.0978 9.4234 1411.3502 13.4581 1419.1816 29.0274 1420.9232 18.3661 1423.5823 1.7316 1424.9937 8.4215 1428.2181 2.2355 1434.2560 1.6706 1445.8957 60.2520 1451.0237 10.2304 1456.7202 227.4399 1458.2037 30.6679 1488.5543 3.3799 1490.7457 0.5291 1498.6446 11.4520 1499.6392 0.3499 1502.9555 3.5459 1508.7346 8.2636 1514.8761 0.2398 1517.4847 1.6212 1518.7411 3.9894 1519.2557 14.3554 1521.2391 1.9965 1521.4808 3.4199 1522.9612 24.2024 1534.9154 3.0141 1535.1263 1.2110 1537.2800 6.1525 1537.9563 19.8833 1545.3459 15.0680 1547.2679 7.3446 1557.2941 17.6804 1773.4540 383.6080 3015.7118 35.2488 3016.5192 43.0185 3022.2764 27.4066 3022.6869 27.0180 3029.3863 61.2303 3043.9874 3.6118 3045.8062 5.0168 3047.3429 22.9967 3055.9990 21.4957 3056.7512 11.8853 3059.6822 25.9252 3064.3605 22.4929 3075.9206 4.6140 3081.0065 7.8079 3083.3449 12.7605 3087.1045 58.5657 3087.6356 58.9309 3092.2176 28.1740 3098.8561 48.9673 3101.6097 29.8201 3110.7072 6.7234 3112.3512 9.1424 3113.6312 66.0476 3115.3299 10.4487 3117.0192 9.7688 3119.5337 24.5097 3120.8244 19.4434 3124.3496 12.2971 3133.7424 34.4182 3135.2193 45.4429 3144.2907 8.2428 3161.7203 8.1910 3172.6206 0.5481 3175.3849 10.3837 3714.1089 41.7639 > 0.53014 GHz 0.10526 GHz 0.09933 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$