NIST 08021519363D 1 1.00000 -2207.48710 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 68 68 0 0 1 0 0 0 0 0999 V2000 5.2768 3.0951 -0.0344 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 2.4060 -2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 0.8232 -3.8134 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 3.0591 -1.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 2.4031 -0.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 2.0238 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9637 1.4413 -1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 1.0070 -2.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 1.8766 -2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 2.1715 -1.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 4.2815 1.0585 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 5.5673 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3369 5.0647 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 3.4695 2.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 2.8758 -2.7870 Si 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 4.7494 -2.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2316 2.0256 -1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 2.3805 -4.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 -0.6272 -4.6393 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7938 -0.1419 -6.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4329 -1.4572 -4.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 -1.7947 -4.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 3.1086 -1.4109 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.1343 2.4714 -2.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 2.0661 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5271 4.9236 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 1.2439 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 0.5890 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2721 0.1001 -1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.4984 -3.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 3.0472 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0024 1.0875 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 6.3831 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 6.0076 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 5.1136 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9114 5.5136 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 5.8581 2.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9795 4.3245 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 2.9613 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4935 4.2202 3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4273 2.7330 3.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2336 5.1289 -2.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5441 5.2260 -3.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 5.0671 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2719 2.3621 -1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2336 0.9346 -1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 2.2609 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 2.8022 -5.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7366 2.7373 -4.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7194 1.2909 -4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 -1.0199 -7.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 0.3663 -6.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 0.5416 -6.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5705 -2.3886 -4.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 -1.7144 -3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 -0.8066 -4.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -2.0471 -3.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -1.3504 -4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -2.7381 -4.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 2.5327 -2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 3.0632 -3.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 1.4240 -3.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6194 2.1291 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 2.4138 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 1.0055 -0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 5.3038 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2743 5.5338 -1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 5.0795 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 7 1 0 0 0 0 3 19 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 1 0 0 0 7 8 1 0 0 0 0 7 28 1 6 0 0 0 8 29 1 1 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 32 1 0 0 0 0 10 31 1 6 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 12 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 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. > 2015-08-02 > R119521 > B3LYP/6-31G* > 2.4208 debye > -2207.48709648 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.6994 0.0143 14.7771 0.2560 19.5519 0.1078 24.1063 0.0970 26.7243 0.3621 30.6922 0.1462 34.8549 0.1748 35.3628 1.2864 45.1532 1.0817 60.9774 0.2466 67.2965 0.8404 77.8082 0.7072 96.4010 0.3558 109.0514 0.2161 115.2290 0.7380 120.0660 0.0241 124.7712 0.0072 134.9420 0.1689 135.2448 0.0976 137.9917 0.1744 140.4957 0.0912 143.5223 0.0025 146.7146 0.0792 154.2045 0.0509 156.8612 0.0131 158.7127 0.0748 163.7681 0.0228 164.6063 0.0895 166.6045 0.9656 168.6245 0.1638 169.0926 0.0397 176.7535 0.7401 186.9850 0.1351 190.7014 0.6123 191.7755 0.3904 194.4035 0.1036 198.7874 0.5333 204.4348 0.7460 212.1384 1.6191 217.5250 0.1894 230.1218 0.2136 233.5118 0.4034 244.5567 2.0103 254.2919 3.6392 266.9457 10.1664 282.8501 19.5511 293.6786 1.0759 296.0783 13.1368 306.4561 25.9310 316.4128 0.2099 329.1727 9.2778 376.9174 1.8187 413.9434 3.8364 459.4534 15.6365 537.1690 20.0583 569.7580 4.3433 582.8343 0.6099 599.1412 0.6101 607.4317 1.7635 609.0762 5.0353 661.9356 7.1900 683.0849 7.5104 683.4734 11.4103 684.3279 9.2381 690.7032 7.9141 692.6587 5.9778 694.2332 4.5254 694.6643 8.7827 696.5112 1.0311 697.0055 0.3318 697.5225 4.7979 697.9594 0.7073 707.1438 0.5777 730.5701 9.8415 752.9915 45.3262 774.1637 9.8269 774.9824 8.9956 777.4849 42.0713 780.0275 30.2206 786.3017 15.1758 789.5569 3.8074 790.8569 25.8243 792.9628 19.8700 793.6188 37.6734 815.8896 0.2072 853.9158 9.9869 876.2509 0.8185 883.0710 40.1737 884.9476 25.6054 885.2823 124.1260 886.1751 57.5782 888.3204 25.7600 888.4133 210.0996 890.6856 149.3920 892.3354 190.1186 901.9185 289.1778 906.0526 199.4962 912.1352 176.5151 930.2534 191.6453 930.6711 209.5550 978.3944 200.2917 1030.2346 433.1454 1100.4674 158.8381 1111.3022 214.1358 1127.0350 10.7974 1150.8143 434.1435 1168.8583 131.3520 1177.0245 32.4435 1228.8602 222.5169 1250.0199 24.5319 1283.6931 0.2407 1293.2449 7.0541 1323.3497 35.7678 1326.3148 33.0124 1327.4601 22.2287 1328.4392 43.2079 1329.2752 30.0986 1329.3763 21.2924 1329.6602 58.7718 1330.4293 41.4731 1334.5720 35.9912 1337.3865 34.5014 1337.9772 56.5203 1339.0387 4.3179 1364.0107 15.3720 1369.7056 22.9194 1392.0036 34.4106 1418.4197 21.6740 1424.3397 31.6194 1432.8890 7.4333 1455.7394 17.3801 1483.6643 0.0432 1484.1615 0.2232 1485.2398 0.2967 1485.3941 0.2524 1489.0780 0.4534 1490.1947 0.0260 1490.3952 0.1915 1490.5211 0.1487 1491.0076 0.0145 1493.0966 1.4741 1493.7275 1.7283 1494.2089 0.5307 1496.3272 0.8180 1497.1852 1.7580 1497.6085 0.2760 1498.4783 1.9253 1499.4758 3.9625 1500.2339 3.0598 1501.8756 1.8969 1504.6113 0.5131 1508.1802 11.1353 1508.3467 5.4107 1512.5595 9.4647 1515.8204 7.7069 1526.4228 13.3024 2979.3505 16.2210 3002.8483 18.8104 3004.7452 63.0653 3038.8473 1.8789 3038.9601 4.6392 3039.3306 5.9573 3041.1875 6.0052 3041.4849 0.7764 3042.4060 4.4570 3042.8157 4.0807 3042.9251 4.7619 3044.8768 26.7358 3045.2272 7.3524 3046.6896 61.8665 3046.8270 1.8950 3047.7858 13.4239 3048.0732 4.9052 3068.5725 34.2148 3106.6285 0.3209 3107.3183 0.4886 3107.6567 0.2434 3109.3700 42.4951 3110.2817 7.0173 3110.3502 49.1284 3110.4937 20.7927 3110.9477 10.5478 3114.4463 18.2533 3115.3811 40.9551 3115.9141 9.5454 3116.1799 8.0708 3117.6351 21.3181 3117.8161 9.8010 3119.6853 29.8903 3119.7485 14.5519 3121.6008 8.0190 3121.6208 29.4935 3126.2530 13.7329 3127.8239 12.2818 3130.2003 10.7084 3135.7386 5.6375 3139.0356 7.0998 3139.4984 15.7488 > 0.14655 GHz 0.11856 GHz 0.07547 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$