NIST 07141514473D 1 1.00000 -989.35845 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 44 43 0 0 0 0 0 0 0 0999 V2000 0.7253 0.6778 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.3541 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 1.0888 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0284 1.6499 1.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 1.4739 2.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 2.1042 2.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 1.9244 3.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0633 2.4583 3.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6643 2.1892 4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9814 2.7140 4.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0202 2.6646 6.2765 Si 0 0 0 0 0 0 0 0 0 0 0 0 12.5877 3.5135 5.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2679 3.5933 7.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3732 0.8752 6.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.1900 0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2636 0.8612 -1.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -0.4017 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 2.4397 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 1.0014 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 0.0023 1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 1.5313 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1549 1.9528 3.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8077 0.4047 2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6316 1.6245 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9807 3.1739 2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 3.5431 3.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 1.9879 2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6623 1.1057 5.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 2.6633 5.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3505 3.5427 6.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 2.9883 4.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3839 4.5455 5.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9564 3.5990 8.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3310 3.1362 8.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0536 4.6366 7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 0.3100 5.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 0.8330 7.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4694 0.3515 7.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 0.7088 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 0.9924 1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 2.2734 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6894 0.3500 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 0.4616 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 1.9242 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 4 5 1 0 9 10 1 0 2 3 1 0 10 11 1 0 5 6 1 0 11 12 1 0 1 2 1 0 11 13 1 0 6 7 1 0 11 14 1 0 3 4 1 0 1 15 1 0 7 8 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 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 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-07-14 > R188755 > B3LYP/6-31G* > 1.0477 debye > -989.358451307 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.3190 0.1023 22.8023 0.0257 26.9900 0.0454 33.9823 0.1297 47.1962 0.0015 63.7908 0.1990 69.3925 0.0763 86.4106 0.2843 114.5352 0.2839 121.2417 1.4015 127.0106 0.2218 129.5588 0.7809 142.0858 0.3935 145.8858 0.0252 148.9907 0.0204 152.5870 0.2106 169.1767 10.9854 188.6685 1.1259 192.2144 0.9965 213.3127 2.5426 229.5816 0.3546 236.4841 0.4130 257.2543 0.1097 281.4826 15.5854 291.5139 6.3248 325.9228 0.1989 358.2544 5.0243 405.6151 1.0548 432.3069 3.7932 451.5324 1.1952 528.1862 2.4523 531.3435 2.4901 602.3576 1.0295 684.3280 9.0393 694.3857 5.1712 698.4968 1.3296 774.8312 26.2091 780.4750 12.7751 791.0818 29.2202 803.3532 0.2776 835.7775 0.9649 837.8711 0.9215 849.1035 0.9069 885.8798 109.0657 886.8173 106.5553 918.5591 280.3307 940.6840 1.3233 958.1561 4.4322 976.9225 0.0922 1005.0882 3.2118 1018.6392 48.5867 1046.1120 1.0667 1064.9577 1.0637 1086.5676 0.6451 1133.7113 239.6835 1142.6428 155.3125 1165.5492 55.7583 1167.2706 9.6649 1176.8136 3.4607 1181.3238 508.7645 1186.8736 8.6066 1205.4524 3.5023 1209.5570 1.1578 1240.9284 0.2716 1253.2074 9.6923 1268.0473 7.5846 1309.6029 0.0005 1318.4184 4.2437 1318.6580 7.0664 1329.3828 39.0919 1329.8603 0.3025 1331.1511 39.7400 1339.1541 21.4825 1354.4900 87.6591 1381.2919 5.4180 1386.7453 0.8712 1396.6004 5.6590 1431.3557 5.2423 1438.4795 17.7371 1450.6880 2.1582 1464.6500 4.4486 1485.8405 0.2046 1489.7892 1.6012 1490.7240 0.3154 1491.9871 0.3843 1498.7462 1.6195 1500.0153 3.1592 1509.1488 8.9271 1515.1479 0.2021 1521.2371 1.2199 1528.4945 1.7130 1536.2119 2.5110 1541.0705 10.1023 1542.4987 3.2073 1547.7193 4.2775 1554.2385 20.1907 1566.0925 0.3189 1570.2468 0.4671 2967.1044 34.5868 2987.8159 17.7145 2990.7742 34.9538 3000.3383 72.2932 3005.9522 18.4602 3006.7798 49.3309 3011.4535 0.8421 3015.0161 55.2008 3023.2269 21.6765 3036.0239 12.2301 3037.8667 43.1306 3038.9651 99.3981 3040.3267 2.5596 3042.2367 5.5353 3044.1434 32.8034 3047.2561 3.4966 3060.3141 79.8259 3080.1790 33.9860 3099.8150 4.4619 3106.2108 77.0822 3109.4419 0.9039 3110.3927 43.8624 3112.1424 29.3638 3115.4643 46.9056 3117.4124 13.5506 3117.8727 7.1131 3119.6529 29.6504 3125.9655 14.5615 > 1.88207 GHz 0.07988 GHz 0.07911 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$