NIST 07021513103D 1 1.00000 -2179.87499 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 66 68 0 0 0 0 0 0 0 0999 V2000 6.2938 2.2337 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 2.5335 -0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 1.5468 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4592 0.2186 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8105 -0.0902 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7106 0.9005 -0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5780 3.7092 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3550 5.0148 -2.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 5.4990 -2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 4.5102 -1.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2472 3.2779 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5431 2.8815 -1.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 3.9232 -1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7831 5.2224 -2.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5090 5.7718 -2.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8462 3.1541 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6503 6.6421 -2.4887 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2142 3.4347 -1.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1157 2.4714 -2.6128 Si 0 0 0 0 0 0 0 0 0 0 0 0 10.4124 6.9939 -2.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1343 8.5533 -2.3067 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.6394 -0.8002 0.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 -0.9089 0.5073 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -2.7310 0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 0.1513 1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -0.4072 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7721 2.2765 -1.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2625 0.8064 -2.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2887 3.3560 -4.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0199 9.4300 -3.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4373 8.4955 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8329 9.3824 -2.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5886 3.5561 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 1.8143 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1327 -1.1190 -0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7507 0.6429 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9182 4.8138 -1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6484 5.8123 -2.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9580 2.1525 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -2.9501 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 -3.3544 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3328 -3.0386 1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 0.0050 2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6735 1.2220 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -0.1274 2.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 -1.0198 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 -0.5554 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1359 0.6425 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4560 1.6579 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2507 3.2497 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6541 1.7999 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8357 0.1695 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2569 0.9217 -3.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1689 0.2703 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3108 3.5739 -4.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8239 4.3064 -4.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8471 2.7387 -4.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8553 10.4750 -3.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4669 9.4304 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0538 8.9217 -3.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4520 9.4993 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0332 7.8435 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4068 8.1311 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2965 9.3776 -3.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7576 10.4278 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5166 8.8708 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 0 9 17 2 0 13 18 1 0 18 19 1 0 15 20 1 0 20 21 1 0 4 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 19 27 1 0 19 28 1 0 19 29 1 0 21 30 1 0 21 31 1 0 21 32 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 1 0 7 8 1 0 9 8 1 0 8 15 2 0 15 14 1 0 14 13 2 0 13 16 1 0 7 16 2 0 2 33 1 0 3 34 1 0 5 35 1 0 6 36 1 0 10 37 1 0 14 38 1 0 16 39 1 0 24 40 1 0 24 41 1 0 24 42 1 0 25 43 1 0 25 44 1 0 25 45 1 0 26 46 1 0 26 47 1 0 26 48 1 0 27 49 1 0 27 50 1 0 27 51 1 0 28 52 1 0 28 53 1 0 28 54 1 0 29 55 1 0 29 56 1 0 29 57 1 0 30 58 1 0 30 59 1 0 30 60 1 0 31 61 1 0 31 62 1 0 31 63 1 0 32 64 1 0 32 65 1 0 32 66 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. > 2015-07-02 > R7757 > B3LYP/6-31G* > 4.6697 debye > -2179.87499017 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 12.6976 0.4946 14.6529 0.4231 17.5493 0.0944 25.5146 0.3971 29.1238 0.7956 34.9937 0.0307 36.8278 0.2248 45.8163 0.2416 50.4913 0.3986 56.1172 0.7542 61.9400 0.7522 86.0875 0.1567 101.1385 2.6500 106.8307 1.0317 120.9076 0.1522 129.1837 0.1123 129.7950 0.0222 136.7266 0.1133 142.2501 0.1188 143.9046 0.1267 146.1541 0.0174 149.9382 0.1721 151.9619 0.4506 155.3453 0.3154 156.6369 0.1387 162.5047 1.0574 167.8760 0.2903 170.9140 0.6505 185.7658 0.5352 187.5324 0.8409 195.2904 0.1145 198.6525 0.0690 212.5650 0.5967 219.4229 0.7269 224.7325 1.0974 226.9382 3.0225 238.9048 0.8319 247.0369 5.4345 252.8344 1.7217 261.8302 12.2357 274.7435 8.8642 282.8260 10.0780 289.4167 8.9252 302.3356 11.3917 336.9644 1.0636 352.0597 1.2382 363.8299 33.7216 388.6441 5.0066 421.2996 0.2399 435.2816 4.3767 459.6363 2.1943 486.6817 6.2380 516.8113 13.5402 522.2571 1.4126 543.0158 10.6370 587.1208 2.3873 594.9928 1.2282 608.7682 2.1457 620.5896 9.9878 626.5954 1.9354 646.0230 11.4911 649.2663 9.4227 660.6846 3.2642 668.5986 10.2335 677.1793 12.4863 682.6096 8.4587 690.9279 8.1860 691.5158 8.1662 696.6782 42.5432 699.2022 4.4441 699.7349 4.5653 701.2147 10.9672 705.2757 0.2008 706.1910 0.0441 708.1354 1.1662 738.7737 9.3250 741.0362 51.4057 759.9475 8.1419 773.7304 19.2832 778.6373 23.3080 782.4048 20.6946 783.2390 18.0084 790.9348 25.0231 792.0641 22.7890 794.5808 31.5797 821.9515 16.6445 824.0719 1.9874 839.5436 12.4440 856.2110 54.3269 863.2022 7.6485 865.6998 2.1701 886.1895 177.0443 888.9277 71.5572 890.4565 105.2079 891.6977 69.1596 891.7648 108.0452 892.8996 159.1144 896.3357 165.4889 901.6873 646.2236 918.5106 329.3851 926.7755 46.5578 938.7202 516.0377 947.6618 15.1462 973.1590 0.0597 1008.4618 66.1487 1034.2663 32.8684 1068.0064 114.5320 1121.8782 25.7994 1136.0746 203.9242 1151.0171 7.7375 1199.9847 437.2264 1213.8338 172.6093 1231.6923 194.3860 1280.8851 13.5137 1286.7632 278.3209 1318.3203 602.4785 1322.8444 49.1482 1323.8984 54.5025 1330.9210 37.3345 1332.1861 55.3173 1332.8252 26.9573 1333.2445 28.8589 1334.6192 27.0547 1336.3677 40.7689 1339.1920 35.5565 1340.5849 3.0848 1346.5759 144.8882 1353.5343 9.6278 1383.5440 494.1989 1415.0240 173.7870 1462.2407 123.6107 1468.3112 17.5673 1481.9030 0.0776 1483.5348 0.2658 1484.0085 0.2503 1489.0990 3.4337 1489.3630 0.2809 1489.5041 0.7131 1490.3903 0.0273 1492.1804 3.9828 1493.6957 2.9809 1494.2389 1.6729 1496.4376 0.7658 1496.4665 2.0518 1497.3499 7.6069 1497.9174 8.3419 1503.3905 50.2737 1505.2060 15.3399 1508.0644 8.4772 1508.7915 101.1518 1515.6884 34.4862 1559.7282 260.4034 1594.6288 102.3993 1613.5180 14.1630 1647.2919 516.9425 1665.9645 323.6906 1675.3797 154.9911 1719.2714 712.5729 3037.9756 4.7941 3042.4515 3.2411 3044.9494 2.4419 3045.5734 6.6689 3045.8086 3.1999 3046.9189 2.7013 3048.2102 14.4460 3048.4568 3.7702 3049.2356 4.2414 3106.7560 0.7038 3109.6273 29.1956 3112.9069 24.3370 3113.2378 4.7843 3115.5258 3.1507 3115.9929 30.1770 3116.0868 9.6225 3116.5108 13.3833 3120.6781 28.8708 3121.1295 31.0073 3122.2059 7.6749 3123.8715 14.0077 3126.7514 7.6807 3128.1106 11.2941 3128.4198 13.9546 3128.7421 18.4293 3154.5939 3.9860 3158.0181 4.2756 3205.3321 15.7253 3213.5522 7.0645 3221.8802 18.5323 3230.8858 3.7729 3234.4633 3.5865 3238.4128 1.1636 3246.4608 4.1025 > 0.15383 GHz 0.04412 GHz 0.03562 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$