NIST 07021513093D 1 1.00000 -1989.33523 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 61 61 0 0 0 0 0 0 0 0999 V2000 0.6004 2.4536 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 1.1363 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 2.8232 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 3.4601 -0.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 0.1445 0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 0.5292 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 -1.2024 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 1.8465 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 4.0979 -0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8888 3.1532 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 -2.3351 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 -3.6177 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 -2.3604 0.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -4.6488 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 -3.5650 1.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 -4.9526 1.6463 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -4.2325 1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -5.5984 3.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -6.2450 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -3.4821 1.0038 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 -4.1039 2.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4709 -2.3777 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 -4.8578 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 5.3256 -1.6056 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.2167 6.1751 -2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 6.5534 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2447 4.6031 -3.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 0.8504 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 -0.2049 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -1.3293 0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7714 2.1515 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 4.0865 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 2.7954 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 2.3997 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 -5.0063 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5829 -3.7994 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 -3.4439 2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 -6.4298 3.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 -5.9549 3.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 -4.8156 4.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 -5.8393 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 -7.1107 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 -6.5952 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0515 -4.6062 2.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 -4.8068 3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -3.2665 3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4054 -2.9459 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4371 -1.9546 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5223 -1.5435 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 -4.4434 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1424 -5.5708 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -5.4003 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 7.0453 -2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 5.4945 -2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 6.5263 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 7.4011 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3988 6.0840 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 6.9543 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 3.8518 -3.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4484 5.3928 -3.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 4.1294 -2.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 5 2 0 0 0 0 2 28 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 8 2 0 0 0 0 6 29 1 0 0 0 0 7 11 2 0 0 0 0 7 30 1 0 0 0 0 8 3 1 0 0 0 0 8 31 1 0 0 0 0 9 24 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 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 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 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. > 2015-07-02 > 68595-71-1 > B3LYP/6-31G* > 3.4899 debye > -1989.33523258 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.7667 0.0993 17.2184 0.8128 17.3471 0.3125 26.9720 0.2401 35.1038 0.0957 39.2019 0.0830 49.7423 0.1686 54.9714 0.3368 61.9392 0.8273 71.3257 0.0496 78.9169 2.4430 94.2711 1.5564 108.2452 0.0802 116.2112 0.0058 122.1030 3.9347 124.8706 0.0521 129.4802 0.4004 132.3888 0.4555 135.3788 0.2698 137.6741 0.2294 145.2654 0.4459 146.9870 0.2434 151.6179 0.3815 153.6542 0.0812 158.2663 0.0966 160.2721 0.2019 163.7528 0.4871 167.7955 0.7768 191.0299 1.5462 193.0045 0.1368 200.7073 10.3792 206.1111 1.3071 206.4082 0.8572 220.3809 1.2135 227.5635 7.3794 229.1585 1.0358 238.9725 8.8695 240.8771 8.2118 260.8684 8.5142 264.3130 19.9780 269.0050 3.0070 276.7527 1.9495 300.6548 1.5521 315.8109 17.7584 341.0785 8.8341 362.2536 12.8048 382.1809 5.8619 442.7647 7.5296 459.3077 5.7740 480.7444 1.5606 529.3022 5.9734 553.0037 4.0681 568.5665 5.1073 593.5104 5.2897 607.1214 1.0900 610.5301 5.5187 637.5807 6.4717 658.1960 78.1375 686.3422 20.3829 691.3632 19.8584 693.8722 8.1941 694.5855 7.2283 696.2374 32.5058 699.6262 8.3724 700.7782 7.1037 701.8882 0.4516 709.2634 0.1489 711.2999 0.2082 717.6461 1.7664 737.6648 3.1149 756.2896 1.1401 760.6127 69.3880 783.2795 47.6573 784.5749 26.3101 787.4077 10.7924 787.7147 28.1522 791.6283 3.4041 794.5498 42.3303 827.7285 3.7946 841.7653 4.2440 850.4124 22.0597 882.3145 136.4986 889.1154 93.4490 890.1468 408.4981 891.9998 8.5539 892.3047 105.5633 892.9155 56.7990 897.0290 168.2103 901.7467 277.0908 904.6545 264.2709 904.8672 113.4342 934.0884 704.0822 952.6588 3.7761 962.9532 24.8950 1006.4361 46.0477 1076.8575 38.6565 1160.5281 154.3333 1176.8819 511.6852 1187.0355 0.7316 1210.4482 43.6421 1235.5296 14.5953 1270.2769 126.3341 1297.0679 1313.9342 1316.9586 28.2578 1322.3888 35.2507 1323.7326 45.7466 1324.9820 35.5274 1327.4266 14.1492 1327.9596 58.6811 1330.1059 100.2107 1333.7136 58.3663 1335.6138 38.3955 1339.0030 37.5250 1350.5142 223.8580 1365.5237 434.8728 1425.0371 317.8696 1460.7911 107.8610 1481.5147 0.0398 1483.1064 0.0814 1483.3812 0.1743 1491.3712 4.6918 1491.7806 0.8910 1491.9448 0.2377 1492.4503 2.1248 1493.3371 0.7676 1493.8032 36.9365 1494.3629 7.8844 1494.8808 2.0354 1495.7317 0.4452 1499.5575 1.1724 1499.9658 1.0013 1504.0179 1.1386 1505.9559 6.4542 1511.3883 5.0734 1511.6649 16.9640 1515.5037 17.7822 1519.8187 5.7902 1536.2644 62.5631 1563.8391 373.9640 1610.5461 53.8508 1650.5602 95.9351 1682.9426 38.7639 1737.9961 540.5741 3027.5531 47.1386 3040.9512 2.9169 3043.1246 3.7844 3043.7536 7.0458 3045.8060 13.7786 3046.0224 5.6536 3046.4120 2.3806 3047.5295 4.5804 3048.2032 11.7270 3049.4753 8.1271 3087.6089 35.8022 3107.0774 8.2087 3107.1847 6.2695 3112.3102 2.5277 3112.8455 26.6548 3112.8731 25.9481 3114.9866 3.9303 3115.3521 8.4486 3116.1725 44.5506 3118.9620 16.4519 3119.2268 34.0810 3123.2459 15.3676 3125.2912 13.2731 3141.0332 8.9970 3144.2459 1.5964 3145.4153 10.3637 3147.5296 14.2356 3156.1409 28.1844 3157.6667 3.9408 3159.7302 8.5482 3208.1726 13.8239 3213.5220 5.0825 3222.3761 4.0560 3270.3041 1.3835 > 0.22944 GHz 0.06417 GHz 0.05295 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$