NIST 07021513133D 1 1.00000 -2246.79339 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 71 71 0 0 0 0 0 0 0 0999 V2000 1.6529 2.5519 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 1.2095 -0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 0.8519 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 1.2078 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4421 2.6813 1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 2.9323 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 4.3085 -0.6276 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7894 2.9998 1.4555 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 0.3791 0.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6369 1.3988 2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 0.8645 3.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 4.8848 -2.0089 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 4.1854 -2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 6.7533 -1.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 4.4260 -3.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 4.1188 2.5926 Si 0 0 0 0 0 0 0 0 0 0 0 0 7.0495 4.6052 2.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 5.6244 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3858 3.3257 4.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9235 -0.9041 1.3199 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.8437 -1.5476 -0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1372 -0.3320 2.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -2.2370 2.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 1.0055 4.7427 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4226 2.8267 5.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 0.1390 4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 0.1554 6.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 2.6262 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 3.2753 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 -0.2394 1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2785 1.0554 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 3.3142 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 2.2941 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 2.4971 2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 1.0912 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3346 4.6206 -3.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 4.4020 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 3.0973 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 7.0391 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5473 7.2496 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 7.1506 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 3.3393 -3.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 4.8241 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 4.8320 -3.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5425 5.2430 2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6771 3.7190 1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 5.1560 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 6.4278 3.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 5.3975 3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 6.0070 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0636 2.4647 4.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 4.0420 5.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3967 2.9754 4.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4665 -2.4146 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 -1.8545 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4983 -0.7750 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7598 -1.1667 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 0.0777 3.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8003 0.4483 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 -1.8365 2.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -2.6557 1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -3.0640 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 2.9287 6.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5197 3.3522 5.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 3.3516 4.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4214 0.1919 5.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -0.9204 4.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 0.5904 3.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -0.8970 5.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 0.6369 6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2156 0.1872 7.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 12 14 1 0 6 7 1 0 12 15 1 0 2 1 1 0 8 16 1 0 5 8 1 0 16 17 1 0 1 6 1 0 16 18 1 0 4 9 1 0 16 19 1 0 3 2 1 0 9 20 1 0 3 10 1 0 20 21 1 0 4 3 1 0 20 22 1 0 10 11 1 0 20 23 1 0 5 4 1 0 11 24 1 0 7 12 1 0 24 25 1 0 6 5 1 0 24 26 1 0 12 13 1 0 24 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 10 34 1 0 10 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 19 53 1 0 21 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 23 62 1 0 25 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 27 71 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 > R74113 > B3LYP/6-31G* > 1.8949 debye > -2246.79338791 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 12.0713 0.0635 15.9476 0.1346 20.0590 0.0956 21.4840 0.1630 24.3193 0.0608 28.1716 0.1360 30.5068 0.0641 42.1268 0.5494 47.8554 0.0416 49.6957 1.0338 56.9151 0.1753 80.8156 0.9532 83.4128 0.1644 109.4041 0.4138 119.6512 0.3961 121.4653 0.1305 122.9965 0.3625 132.8556 0.1504 134.1736 0.0176 135.8103 0.0394 138.4933 0.0231 142.5398 0.0866 146.7337 0.0730 152.6670 0.2701 154.9324 0.0380 156.2787 0.0059 158.2570 0.0616 161.0587 0.2675 164.0556 0.2872 169.2401 0.1921 169.3069 0.2765 177.2166 0.0471 182.6090 0.2725 187.4698 0.1404 191.1389 0.7170 193.0596 0.1124 201.0264 1.0607 206.8222 0.4112 212.3291 0.2494 218.4052 0.5906 220.9222 0.4754 236.0925 0.9266 241.0429 0.9342 252.2538 1.4542 257.3177 2.0798 283.2134 12.8660 290.8742 7.8067 297.5551 12.0905 301.4666 13.4167 312.2623 17.4471 323.9601 2.1910 341.0008 6.6794 351.4317 1.9728 412.9288 10.4194 438.4818 13.1604 456.0625 16.2201 498.7774 11.9207 507.7861 23.2830 566.1011 7.1453 593.6360 0.1941 599.9052 0.3594 604.4699 2.2804 626.5139 2.8963 682.1650 10.1112 682.6702 4.8768 686.1936 10.1423 687.5048 8.9762 689.8430 12.4478 693.9665 4.1006 694.9994 6.6989 696.3888 5.1288 696.9213 3.9061 698.9376 0.1808 699.4220 0.8781 699.9387 1.2526 700.8720 0.1745 771.8657 1.3342 775.7029 7.6728 776.3135 35.3964 778.2515 26.4978 779.4532 12.7272 780.5415 33.6052 788.0447 19.7756 789.4008 15.1170 792.4968 18.6525 795.7360 32.2731 805.8213 4.5918 830.3261 8.1523 868.1044 29.0334 878.6953 87.5400 881.9830 7.9329 885.0586 37.9843 886.2124 198.1389 887.3120 78.6291 887.9433 5.7821 888.8371 144.4172 891.6179 123.1789 898.8496 105.1192 911.1305 184.4370 916.0613 537.8751 931.6469 174.2619 948.2274 207.1800 978.4020 81.4927 1005.0497 18.6127 1065.3920 119.8310 1089.6493 74.0161 1097.6544 148.2507 1117.6371 490.4187 1127.0893 63.3654 1145.2900 75.3135 1152.5137 131.5922 1160.9290 292.4290 1187.7249 25.8592 1261.3866 3.7810 1271.6914 14.4162 1310.7847 14.6217 1319.0078 2.5042 1325.9452 41.7939 1326.9405 16.9025 1327.4968 13.3267 1328.6969 31.3660 1330.2153 36.5171 1330.8876 23.2287 1331.3427 75.6183 1331.6979 31.9501 1334.8485 44.2838 1337.4667 24.3149 1339.1483 46.6699 1340.0270 11.8809 1353.6708 10.3067 1367.8357 5.4192 1369.8878 12.5737 1397.4961 1.4014 1423.8062 18.5691 1431.0408 16.9256 1435.7706 8.1361 1461.8570 16.0413 1484.0423 0.3697 1484.1972 1.0515 1485.1191 0.4219 1486.0211 0.1410 1487.4955 0.4154 1488.8432 1.2227 1490.3116 0.1227 1490.4082 0.1857 1491.0108 0.4477 1491.5650 0.2389 1491.7570 1.0929 1492.5594 0.2392 1495.3125 0.6299 1497.6366 4.4311 1498.7646 1.2600 1499.0839 0.7969 1499.2907 2.5776 1499.7690 1.3766 1500.2333 2.9525 1500.5307 4.4050 1507.0333 11.5326 1508.8017 7.7177 1509.7616 9.6891 1510.7942 13.2721 1535.9484 1.0960 1547.0471 9.5329 3000.8851 13.6828 3004.8300 23.7501 3021.3274 62.6198 3037.8002 4.9428 3038.0815 4.4293 3038.4480 3.8432 3040.7201 2.6529 3042.3637 3.0491 3042.7529 4.4480 3043.4248 8.1835 3044.3148 3.9177 3045.5917 2.6425 3046.1636 5.1038 3046.4180 5.2937 3046.9460 2.6716 3051.3202 24.4423 3055.3469 33.0943 3073.8962 21.6715 3095.0355 47.4523 3104.4923 9.0566 3106.9528 13.9635 3108.6232 2.0313 3108.8794 29.5680 3110.2769 0.8293 3111.5008 40.1516 3112.7322 24.5335 3113.6049 15.8397 3115.2621 17.0554 3115.3548 10.8964 3116.3634 22.2936 3116.8458 13.8977 3117.6191 37.7952 3117.9941 21.5693 3118.3001 20.4961 3118.3921 15.9518 3119.9047 23.5521 3121.0418 10.4117 3122.7157 17.8352 3123.1236 14.3456 3124.8228 13.8745 3125.3896 7.9747 3126.4594 19.1800 3128.1667 14.1118 3133.0174 9.4531 > 0.16032 GHz 0.09268 GHz 0.08593 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$