NIST 07041506023D 1 1.00000 -1701.91503 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 63 63 0 0 0 0 0 0 0 0999 V2000 -1.1855 -0.7735 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 0.7331 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 0.8607 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4319 -0.5514 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 -1.5011 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7561 -0.7128 -0.0802 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 1.5700 -0.3062 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 2.1326 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9921 3.1938 -0.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1051 2.1583 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6351 3.5292 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 3.8904 -2.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1691 3.5558 -0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4942 -3.0049 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 -3.6814 0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -4.8553 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 -5.3927 2.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 -5.7549 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 3.1099 0.2287 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 4.4165 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 3.5016 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 2.7870 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -1.2110 -0.3311 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8693 -1.6860 0.7801 Si 0 0 0 0 0 0 0 0 0 0 0 0 -6.4385 -3.1020 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 -2.2531 2.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 -0.5411 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0435 0.2933 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6205 1.8415 0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 4.2797 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 4.8778 -2.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 3.9127 -2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4965 3.1621 -3.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5575 4.5365 -1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5355 3.3467 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6081 2.8080 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 -3.3461 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 -3.3069 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -3.1474 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -4.7118 3.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 -5.5579 3.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 -6.3659 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 -5.3473 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9379 -6.7316 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 -5.9549 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2885 5.3205 -0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0206 4.0613 -2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 4.6799 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1019 4.3442 2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 2.6477 2.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 3.7639 1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 1.9946 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 2.4747 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 3.6914 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3013 -3.6051 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -2.7262 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6665 -3.8595 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8097 -2.8664 2.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 -1.3919 3.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -2.8451 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7225 -0.1207 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1393 -1.0865 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 1.3853 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 24 1 0 0 0 0 7 19 1 0 0 0 0 7 2 1 0 0 0 0 8 9 2 0 0 0 0 10 29 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 11 30 1 0 0 0 0 12 32 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 13 35 1 0 0 0 0 14 5 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 40 1 0 0 0 0 18 45 1 0 0 0 0 18 44 1 0 0 0 0 18 16 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 46 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 51 1 0 0 0 0 22 54 1 0 0 0 0 22 19 1 0 0 0 0 23 1 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 55 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 60 1 0 0 0 0 27 62 1 0 0 0 0 27 24 1 0 0 0 0 28 27 1 0 0 0 0 31 12 1 0 0 0 0 33 12 1 0 0 0 0 34 13 1 0 0 0 0 36 13 1 0 0 0 0 37 14 1 0 0 0 0 38 14 1 0 0 0 0 43 18 1 0 0 0 0 47 20 1 0 0 0 0 50 21 1 0 0 0 0 52 22 1 0 0 0 0 53 22 1 0 0 0 0 56 25 1 0 0 0 0 59 26 1 0 0 0 0 61 27 1 0 0 0 0 63 10 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. > 2015-07-04 > R384200 > B3LYP/6-31G* > 4.3718 debye > -1701.91502930 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 5.3607 0.3098 13.9461 0.2546 21.6821 0.7889 30.5099 0.3863 35.6249 0.1122 43.0599 0.2610 48.4282 0.2416 54.7611 0.4376 60.9993 1.4519 67.6291 0.2235 72.1817 1.1241 93.3232 0.0469 104.9241 0.1761 108.3931 0.5381 116.1562 1.1338 119.7794 0.7624 133.0012 0.6057 134.8908 0.0070 147.3824 0.1717 151.9981 0.8607 152.7056 0.1502 153.2579 0.3966 163.2044 1.3954 168.1574 0.8931 173.5124 0.3951 180.7948 1.9932 187.0360 0.3007 193.2519 4.7029 204.9753 0.8797 208.2067 0.8641 216.5309 0.1632 217.4786 1.0272 224.5833 1.6248 229.4725 0.3228 232.4113 0.0660 253.5000 6.5804 262.8348 9.2003 266.1330 1.6776 272.9404 5.2258 281.0113 10.9672 286.1025 2.0582 304.2700 20.8293 311.6279 9.5963 334.4275 4.5153 355.1462 1.7477 394.1615 2.6754 411.2533 3.1348 421.1948 4.3242 440.8624 3.2599 449.0899 7.1812 468.7272 26.0621 499.3198 10.6769 510.2164 4.5565 541.4960 8.1224 596.6955 6.1323 611.4602 6.3894 613.2252 2.9318 687.5780 53.3805 691.4146 6.5161 693.3940 3.7382 699.5708 48.5693 701.5054 9.2010 701.7794 11.9674 713.8083 0.3141 714.4726 1.2033 722.9555 46.3698 749.1553 11.5297 777.6018 25.9221 787.8790 23.9000 789.5865 14.3591 792.6668 22.4206 796.5070 6.3397 797.7956 30.4752 807.0346 2.2673 842.8358 0.7074 855.1592 10.6861 864.0500 28.7103 889.5447 356.9543 892.1119 85.6326 893.8081 73.8988 897.0736 254.5844 899.1562 207.7039 902.7484 64.8370 906.7514 32.5602 942.0006 3.7096 954.0205 29.1883 975.0876 1.6584 976.9331 11.3522 979.1516 1.0492 1024.4403 166.8857 1030.7117 25.8364 1041.2004 3.1665 1108.8019 89.6553 1117.4719 0.4533 1127.1873 12.1830 1134.3038 21.9872 1148.9563 17.7308 1179.3828 19.9211 1207.6044 6.8068 1217.0230 148.3225 1244.7749 13.1795 1264.2944 3.2805 1297.8330 55.1418 1321.9450 59.0165 1323.1418 67.7938 1327.0460 39.4523 1331.7564 11.6540 1333.8145 34.9817 1337.7473 42.0689 1338.6290 38.4915 1346.0051 13.6569 1366.9310 580.9444 1382.9061 44.0222 1403.6701 2.4963 1409.0053 42.1377 1426.8406 6.3149 1439.6947 8.2028 1445.8148 9.9066 1451.7035 1.3495 1463.6246 108.6822 1471.1851 42.3812 1480.1023 0.0145 1483.5519 0.2632 1486.4010 1.4721 1489.5947 11.8881 1490.1769 1.1676 1490.7768 0.8434 1491.0573 1.7690 1491.8005 3.1674 1498.4505 6.4844 1499.7319 5.0676 1502.8058 3.0699 1504.2331 1.2649 1508.4280 7.2815 1513.6983 8.3034 1517.6159 5.8814 1520.4625 3.3319 1521.8438 14.8731 1524.1877 3.1411 1527.3991 3.1925 1535.2226 3.1024 1542.5413 10.0059 1600.8123 227.3938 1656.1296 554.5925 1730.0844 589.6449 1745.4386 2.9415 1799.6368 114.2604 3003.0840 18.0959 3022.9711 30.8384 3031.1233 59.5490 3032.7906 26.0016 3036.8112 41.2498 3041.5536 11.4876 3044.0528 6.3051 3044.1481 0.8575 3046.0743 6.1496 3046.3801 2.3909 3048.1049 15.9197 3048.9946 5.4447 3059.6512 3.1625 3066.3333 9.5997 3071.0698 41.4311 3086.0778 1.7428 3094.4684 12.8303 3103.1231 55.5443 3107.5970 70.0076 3110.3307 10.7461 3110.4382 6.9880 3113.4245 3.4792 3113.9866 8.5061 3116.3703 19.9531 3116.7814 26.6344 3118.6774 23.1446 3124.9236 21.6932 3127.4809 11.7304 3128.3623 9.8795 3132.2975 2.0873 3133.6940 27.0716 3137.4032 29.4331 3144.1347 16.4570 3162.2738 3.0750 3166.3280 2.5522 3172.3489 12.3067 > 0.18361 GHz 0.11687 GHz 0.07868 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$