NIST 06141519353D 1 1.00000 -1865.00514 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 54 54 0 0 0 0 0 0 0 0999 V2000 -1.1597 -0.1340 -0.7795 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 0.4598 -0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4852 -0.0733 -0.2618 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 -1.4306 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2248 -2.1031 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4047 -1.3472 0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 -1.9415 0.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0535 -1.2024 0.8162 Si 0 0 0 0 0 0 0 0 0 0 0 0 -7.0505 -2.6116 1.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9543 0.2480 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7415 -0.7213 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -2.0004 -0.4644 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 -1.1925 -0.9974 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -2.5703 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 -0.5985 -2.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 0.2246 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 -3.4020 0.6524 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6675 -4.5538 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 -5.6075 0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5549 -7.2133 0.7300 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 -4.6439 -0.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2572 -7.2616 1.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 -8.1898 1.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 -7.7605 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 1.5004 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0885 -2.3036 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0716 -3.4839 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6322 -2.9313 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9567 0.6460 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3406 1.0533 1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5191 -0.0564 2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1374 0.0663 -1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7579 -1.5805 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7715 -0.3554 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1527 -3.0194 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -2.2149 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0576 -2.9241 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -3.4333 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -0.1592 -3.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 0.1586 -2.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 -1.4272 -3.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 0.9921 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2068 -0.1306 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 0.6934 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 -3.5433 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -8.2830 1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 -6.6186 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 -6.9238 2.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 -9.2528 1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 -8.1137 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -7.8274 2.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 -7.1153 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4985 -8.7929 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 -7.7209 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 12 13 1 0 13 14 1 0 6 7 1 0 13 15 1 0 13 16 1 0 7 8 1 0 5 17 1 0 17 18 1 0 8 9 1 0 18 19 1 0 19 20 1 0 8 10 1 0 18 21 2 0 20 22 1 0 8 11 1 0 20 23 1 0 20 24 1 0 4 5 1 0 5 6 2 0 6 3 1 0 3 2 2 0 2 1 1 0 4 1 2 0 2 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 22 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 24 54 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. > 2015-06-14 > R386984 > B3LYP/6-31G* > 3.0870 debye > -1865.00514390 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.8375 0.0344 24.6555 0.8690 25.3617 0.0407 32.2615 0.0890 36.4033 0.1461 50.7171 0.4501 57.5942 0.0551 65.3726 0.0919 84.4451 1.0663 96.0686 2.2489 102.3677 0.5888 115.3756 1.0777 121.1793 0.1798 123.8331 0.1421 131.4058 0.0467 133.4009 0.1630 142.6021 0.1586 144.1370 0.1517 146.6050 0.1945 152.5059 0.2374 152.6137 0.1450 154.3801 0.0781 155.9250 1.1554 163.2787 0.1584 182.1890 1.7410 187.2071 0.1715 192.5918 0.0875 193.8097 0.6001 194.9432 0.5998 201.8628 0.7203 225.5790 3.4697 229.6070 4.4660 233.4787 0.4017 237.8060 1.6326 256.6204 22.4999 272.3579 20.9250 281.7977 11.7201 287.4166 19.0391 292.2372 12.4694 302.7470 8.0793 316.2369 13.6084 369.5955 7.0001 495.5560 27.7489 552.3035 4.6281 562.2493 3.1615 597.8501 3.8671 604.0302 4.8894 618.4568 5.4640 629.1524 77.0737 636.5611 44.1248 676.9921 7.6642 691.7638 4.4871 694.7334 15.9641 697.1567 4.7203 698.3791 0.1571 699.2156 9.3316 700.5648 11.5520 700.7893 4.1399 707.8297 0.0393 708.3688 0.2590 710.7947 0.0993 720.4703 69.6587 724.8493 33.0107 744.3770 58.9663 765.6070 27.8173 779.4998 0.8465 787.2928 3.2419 791.5363 6.0627 792.8609 21.8028 795.9635 18.3042 796.5914 71.4802 804.8142 37.8470 819.6846 4.8622 861.7710 23.8944 891.2260 88.9121 893.4318 243.6466 893.8977 192.1545 894.8752 262.4767 895.7918 65.8549 896.9432 236.1621 897.6816 255.3667 903.5448 417.6424 914.1547 72.9645 926.5216 53.3495 975.6741 1.7415 1054.3874 244.8661 1117.1143 304.7008 1200.8000 89.1986 1282.5278 354.4123 1323.0888 35.4160 1325.3508 45.4692 1326.1784 10.4424 1326.2907 165.6130 1328.4972 41.4472 1330.6333 66.5101 1334.2776 143.3633 1336.4671 31.1760 1339.1990 133.7121 1339.6542 69.9432 1348.5615 47.6295 1388.0897 38.8357 1449.4620 213.3335 1479.2775 244.2646 1480.5471 0.2805 1481.4113 0.9410 1483.0204 0.4425 1491.3234 3.1043 1491.4317 55.1783 1492.2578 4.6999 1492.5493 12.2586 1492.8731 7.2400 1493.3633 24.8007 1493.7575 5.0239 1495.4303 1.0366 1496.2200 1.9986 1500.2571 0.6076 1500.4870 2.2255 1503.5562 2.6071 1512.0958 31.9871 1512.2035 20.2222 1514.0749 10.1126 1524.9686 51.1235 1571.4364 711.6870 1614.8155 128.7035 1636.7459 737.6368 1760.4992 329.7737 3041.9953 4.1830 3043.8676 8.4495 3045.1076 2.1710 3046.1829 5.1421 3046.5986 1.7064 3046.6622 11.9755 3047.7763 4.3852 3048.3635 9.5246 3049.8025 7.7410 3110.7492 5.7124 3112.2781 6.7573 3112.7762 3.5081 3113.5945 6.4222 3114.9932 5.4708 3115.2607 38.2531 3115.4131 6.3198 3116.9065 25.0739 3117.6226 35.6098 3119.3234 28.1751 3123.8921 14.1590 3126.2399 12.8157 3142.3381 2.1483 3143.2290 16.1475 3144.4001 3.1680 3145.8971 8.9035 3147.3195 4.5387 3149.3446 9.0667 3183.3656 29.1780 3457.1515 287.5214 3596.4915 60.9255 > 0.16349 GHz 0.14275 GHz 0.08270 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$