NIST 07221522013D 1 1.00000 -2804.80120 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 83 82 0 0 1 0 0 0 0 0999 V2000 -0.0981 -0.4670 1.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1964 0.9018 1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 1.5955 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9935 2.8063 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 2.3186 -1.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 1.9593 -2.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -0.2954 2.8812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 3.6598 -0.1855 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 1.7388 1.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1803 -1.3052 1.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 -2.2414 2.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -1.1853 1.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 2.2928 -2.0973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0003 1.7536 -3.6783 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 -0.0733 -3.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 2.0456 -3.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 2.8164 -4.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 3.6407 -0.6814 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.5135 1.9310 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5476 4.7953 0.5578 C 0 0 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-3.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 3.1056 -3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 1.4786 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3087 1.7394 -4.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 2.5557 -5.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 3.8796 -4.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 2.6795 -4.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5793 1.9988 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 1.2344 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4444 1.5096 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 4.9219 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0834 5.7882 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 4.4085 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 3.7133 -3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 4.4891 -2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4339 5.3491 -2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 4.6316 2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 4.6815 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 4.3746 3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3931 1.9786 3.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 0.4479 3.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 1.6390 4.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 0.9047 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 2.4366 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3898 2.3995 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3997 -0.4678 4.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8967 0.3436 2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2805 0.9026 4.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 -2.2562 5.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7265 -2.4286 5.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 -0.8884 5.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 -3.3133 2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -3.2046 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -2.3106 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 -5.2608 4.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4443 -3.8172 5.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 -4.8748 4.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 -5.2913 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -3.8790 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5415 -4.9497 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 -1.9167 4.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -3.3645 3.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 -2.0537 2.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 6 0 0 0 1 10 1 0 0 0 0 1 7 1 0 0 0 0 2 35 1 6 0 0 0 2 1 1 0 0 0 0 2 9 1 0 0 0 0 3 36 1 0 0 0 0 3 2 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 6 0 0 0 4 3 1 0 0 0 0 5 6 2 0 0 0 0 5 4 1 0 0 0 0 7 26 1 0 0 0 0 8 4 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 11 30 1 0 0 0 0 12 10 2 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 15 41 1 0 0 0 0 15 14 1 0 0 0 0 15 39 1 0 0 0 0 16 42 1 0 0 0 0 16 14 1 0 0 0 0 16 43 1 0 0 0 0 17 47 1 0 0 0 0 17 46 1 0 0 0 0 17 14 1 0 0 0 0 18 8 1 0 0 0 0 18 19 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 18 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 18 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 59 1 0 0 0 0 23 57 1 0 0 0 0 24 62 1 0 0 0 0 24 60 1 0 0 0 0 25 22 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 68 1 0 0 0 0 27 66 1 0 0 0 0 28 71 1 0 0 0 0 28 69 1 0 0 0 0 29 26 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 0 0 0 0 31 76 1 0 0 0 0 31 30 1 0 0 0 0 31 75 1 0 0 0 0 32 79 1 0 0 0 0 32 78 1 0 0 0 0 32 30 1 0 0 0 0 33 83 1 0 0 0 0 33 82 1 0 0 0 0 33 81 1 0 0 0 0 40 15 1 0 0 0 0 44 16 1 0 0 0 0 45 17 1 0 0 0 0 48 19 1 0 0 0 0 51 20 1 0 0 0 0 52 20 1 0 0 0 0 55 21 1 0 0 0 0 56 21 1 0 0 0 0 58 23 1 0 0 0 0 61 24 1 0 0 0 0 63 25 1 0 0 0 0 64 25 1 0 0 0 0 67 27 1 0 0 0 0 70 28 1 0 0 0 0 72 29 1 0 0 0 0 74 29 1 0 0 0 0 77 31 1 0 0 0 0 80 32 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. > 2015-07-22 > R101392 > B3LYP/6-31G* > 4.0491 debye > -2804.80120273 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.8540 0.0680 10.7611 0.1849 13.0279 0.3990 14.6801 0.2006 21.2095 0.0474 24.3073 0.0724 29.0468 0.1682 31.2399 0.1985 37.5371 0.4818 39.5321 0.5686 42.2856 0.7542 44.0660 0.3353 56.8183 0.2811 57.9665 0.5214 74.9418 0.7453 86.0482 1.2235 94.3117 0.5079 96.9054 1.3892 107.2875 1.1892 113.0841 0.9381 123.0154 0.9255 126.0454 0.1196 127.6936 0.0213 129.8178 0.1472 132.4166 0.2109 134.3202 0.0970 135.5775 0.0668 140.7461 0.3144 143.9788 0.0852 144.7958 0.4373 146.1620 0.1231 152.5861 0.1953 153.9576 0.2083 157.1014 0.0636 157.5814 0.0317 159.6323 0.1175 165.0603 0.5292 165.7617 0.2836 166.1895 0.0291 166.9063 0.2971 176.0347 0.0665 182.9020 0.0435 188.6120 1.0147 192.2719 0.6848 193.2978 1.1622 194.9402 1.2604 196.9412 2.2163 197.6555 0.1562 201.9050 0.4878 208.0717 0.1767 213.9181 0.5422 220.2976 5.4408 223.1815 0.9922 233.1542 4.9370 240.3102 2.3534 243.9138 9.5881 247.6743 6.4285 250.7136 7.6534 263.8388 13.9435 269.0473 4.3107 278.4379 0.0348 281.1736 5.6811 291.6196 38.2840 305.2420 14.8474 312.0186 10.0111 315.1840 3.8018 329.7661 7.6130 351.2385 14.2606 413.2936 8.0350 424.6792 9.0143 513.8433 16.4353 568.4204 13.8796 572.3864 1.2335 585.9975 2.1646 601.8259 4.6076 604.0500 0.2052 612.3555 6.3226 655.1670 6.4844 685.0818 22.7161 686.1399 13.0187 686.9564 13.7120 687.3114 7.5044 687.6882 9.4664 691.7425 1.7199 692.1838 2.3186 695.2304 16.1109 695.6469 13.7862 699.2303 4.6898 700.0177 3.3589 700.8675 4.3450 703.1674 1.3786 703.2236 0.6537 703.6336 3.3786 708.8181 0.2567 710.7864 0.1101 719.8230 51.1897 737.8795 86.2997 747.3453 36.9280 750.6835 16.3805 778.4461 27.3858 781.9874 26.8278 782.8308 27.8979 784.3725 23.0373 786.4414 7.9269 787.2198 14.4825 788.7597 15.5246 789.2591 34.2382 791.9817 4.6242 799.4503 17.9591 808.9183 45.4359 856.5385 2.0081 881.5695 22.0377 884.3920 169.9851 885.9309 94.4121 887.9242 24.6813 888.3757 53.6545 889.9626 225.4045 891.7696 174.6845 893.7861 163.3513 894.3423 53.2512 896.4503 19.1278 897.4397 201.3643 898.6800 115.6806 902.4460 427.2945 908.9825 262.7059 919.2288 127.6308 923.9489 70.4018 942.9698 213.7548 991.1171 32.8904 998.5609 108.1120 1062.6482 51.9657 1102.9049 3.5007 1133.0671 452.9301 1173.5022 443.2891 1191.1306 157.5558 1228.7633 85.2755 1244.6270 230.8041 1281.8377 348.2739 1305.6805 110.9870 1319.9241 35.0723 1322.6824 33.7372 1324.5757 31.5537 1325.7873 55.7232 1326.3031 12.7542 1327.2996 42.8560 1327.6906 42.0314 1328.7754 50.6682 1329.9639 35.4373 1331.7311 39.1633 1333.9449 51.5306 1334.7131 55.3079 1336.3519 10.8239 1339.8620 39.0648 1340.6131 14.1904 1342.9385 66.6358 1365.5124 4.3969 1385.9337 89.3235 1399.4791 21.9133 1419.0220 48.9026 1426.6201 16.7801 1480.4235 0.2857 1481.2200 0.0367 1482.8962 0.2834 1483.8365 0.3890 1484.7356 0.1891 1488.3871 0.5135 1489.9674 0.1117 1490.1520 2.2080 1490.9731 0.6936 1491.2755 1.1503 1491.4640 1.9883 1492.4082 3.1913 1493.0595 3.2602 1493.2849 6.3002 1493.4659 1.3701 1494.2625 3.7937 1495.6607 0.9215 1495.7619 5.5593 1496.3393 1.9936 1497.3561 2.6519 1498.8346 4.1185 1499.0299 0.8309 1500.2512 1.7845 1503.2608 1.7473 1504.8991 4.5085 1506.3873 5.6224 1509.7127 19.8482 1511.5838 18.6648 1512.2292 7.4672 1516.6290 2.0887 1516.7914 18.4204 1773.8955 205.7231 1782.3782 235.6059 2964.9364 19.4736 3040.3207 4.6741 3041.2234 3.7786 3041.5249 4.1109 3041.7155 7.3733 3043.2646 4.4085 3044.1151 4.9184 3044.5834 11.8590 3046.7249 1.4548 3046.8301 3.5555 3047.2845 5.7582 3047.5988 4.9192 3047.6714 6.0362 3047.7814 2.8463 3049.9577 8.7329 3050.0094 4.6998 3060.2891 13.4865 3064.3091 18.3007 3095.0303 34.4475 3107.0073 16.5004 3108.0801 11.1335 3109.6250 3.5314 3110.1483 5.8409 3112.5739 19.0836 3112.8256 24.0148 3113.7614 34.7322 3114.6298 5.2988 3114.7349 2.7356 3115.2556 6.4173 3116.1308 27.4387 3116.8056 4.0338 3118.2675 38.5514 3118.9641 20.8589 3119.3127 12.6107 3119.5038 41.8783 3120.1043 14.6662 3121.1728 17.3890 3123.7438 14.6594 3126.5039 10.7547 3130.3754 7.1064 3132.0583 11.1012 3133.3486 11.5316 3136.8778 11.6652 3137.6905 3.0168 3139.5976 9.1770 3141.9378 5.0127 3142.0986 5.0688 3144.7579 11.4665 3146.2719 6.2259 3149.9891 5.2629 > 0.11308 GHz 0.06527 GHz 0.05382 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$