NIST 07311523303D 1 1.00000 -1501.43010 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 84 83 0 0 0 0 0 0 0 0999 V2000 4.1432 28.6837 3.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 29.8718 4.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 31.0361 4.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8357 40.4304 7.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0385 40.6738 5.8621 Si 0 0 0 0 0 0 0 0 0 0 0 0 -7.0923 41.6913 4.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 31.9879 3.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1374 38.0791 5.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8671 39.2047 5.0986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9609 37.7651 4.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1738 36.5250 5.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 36.2041 4.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 34.9754 4.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 34.6609 3.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 33.4423 4.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 33.1422 3.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 37.8121 13.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6314 37.5741 12.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3903 38.4739 12.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4102 38.2412 11.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7584 41.6431 7.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5765 41.4554 6.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 40.7977 7.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5281 41.0532 8.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 40.1870 8.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7085 40.4333 9.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 39.5524 9.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 39.7927 10.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 38.9021 10.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1669 39.1381 11.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7387 27.8404 3.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1064 28.3508 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5163 28.9639 2.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 30.1603 4.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 29.5532 5.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2641 39.7540 8.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9541 41.3792 8.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8334 39.9929 7.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5754 41.8383 3.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3047 42.6800 5.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 9.1525 37.7358 11.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7072 39.5277 12.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8694 38.3126 13.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 37.1867 11.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 38.4042 10.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 42.7076 7.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3118 41.4116 8.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 39.7347 7.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 41.0108 6.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 42.1150 8.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0489 40.8674 9.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 39.1258 8.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 40.3694 7.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 41.4921 9.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 40.2595 10.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 38.4941 9.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4829 39.7246 8.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 40.8492 10.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 39.6258 11.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 37.8461 10.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 39.0685 9.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4798 40.1929 11.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6457 38.9752 12.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 7 3 0 4 5 1 0 5 6 1 0 5 9 1 0 5 22 1 0 7 16 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 30 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 4 36 1 0 4 37 1 0 4 38 1 0 6 39 1 0 6 40 1 0 6 41 1 0 8 42 1 0 8 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 26 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 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. > 2015-07-31 > U347877 > B3LYP/6-31G* > 1.9236 debye > -1501.43010375 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 5.7925 0.0029 14.5045 0.0487 15.2248 0.0411 19.9649 0.0522 20.6456 0.0749 24.2645 0.0650 31.3771 0.1143 35.7869 0.0714 38.3011 0.4862 46.4346 0.0157 50.2524 0.0432 51.7281 0.0669 59.7451 0.1504 70.9038 0.1850 79.2195 0.2605 81.5331 1.2654 84.4278 0.0105 96.4089 0.1731 107.9002 0.2388 109.3401 0.4764 120.9824 0.0158 127.4408 0.0116 129.8107 0.0793 133.8768 0.3342 135.5592 0.3112 144.8984 0.0632 146.4194 1.4773 152.4274 0.7656 153.2076 0.0477 156.7519 0.1445 166.7808 0.3942 170.3439 0.1430 172.9402 0.1346 174.9177 1.4306 175.4420 0.1356 185.7027 0.1045 201.9333 1.3749 210.3068 0.7454 216.7465 1.1742 232.0883 1.6017 249.7501 0.0025 259.5525 0.3807 288.3627 0.8237 291.9080 4.3331 300.4203 3.5593 305.5899 8.0414 339.3291 9.7972 350.8415 8.9552 364.2638 2.9155 387.2686 3.4552 393.8516 13.2270 430.2440 3.7603 442.8935 1.6551 462.0622 2.2760 488.4599 2.2727 506.6952 1.0809 513.7336 1.6423 517.2297 1.3429 530.2157 4.4842 619.2857 0.2180 698.9972 4.7954 739.0739 5.0735 740.0078 2.2618 740.0513 3.9411 742.8427 1.8466 744.0159 0.6298 749.7579 14.4385 750.7604 6.3016 751.8452 21.3294 761.2894 5.9436 766.8694 1.4364 770.4849 6.4618 782.6233 0.5920 793.0827 0.1473 795.6656 1.9323 804.2464 2.8307 818.7290 109.1760 831.7477 1.3522 869.1237 2.5612 878.3617 6.6675 887.4489 170.0641 902.4615 195.3439 904.6496 3.0866 931.3070 0.2881 953.7771 0.8681 964.5183 0.1048 984.4624 0.6119 987.5305 2.0278 994.5907 0.9907 998.5836 3.5754 1010.5508 11.0408 1016.2276 2.0936 1033.3405 0.1396 1034.0953 5.6007 1038.6484 0.5547 1043.6827 1.1594 1053.1347 0.6386 1056.4556 5.6596 1066.2459 1.8891 1070.4859 0.1483 1071.8568 0.5369 1073.7070 0.8894 1077.7957 0.8222 1079.5693 0.0713 1080.4027 2.3610 1081.0614 0.0165 1090.6090 3.6907 1115.6757 7.9083 1117.4001 151.4189 1118.5429 135.6486 1121.9604 19.7816 1144.9436 402.4701 1152.7719 3.5831 1153.0111 13.4368 1175.1626 0.0357 1213.0785 17.8123 1217.4952 23.0193 1226.5519 5.4043 1237.2303 1.4390 1244.3253 1.6401 1249.9304 4.3772 1258.8849 7.6767 1266.3271 3.2399 1276.6155 3.3969 1286.2506 4.4912 1296.3959 0.6165 1297.9806 3.1150 1302.7134 2.2478 1303.5149 0.0335 1325.4194 0.6749 1327.1060 2.7374 1329.1499 3.5869 1331.9205 1.8272 1333.9905 44.8952 1337.7721 24.5826 1339.2059 1.0419 1340.1554 8.7262 1342.3647 0.5664 1343.1965 1.7055 1344.4783 10.5640 1349.7689 0.6031 1352.7579 0.2759 1353.4282 0.9232 1355.5754 1.4319 1356.5158 0.0583 1357.7502 0.4645 1358.9495 0.4770 1371.9960 16.7799 1375.9653 19.2459 1384.9837 0.4379 1405.7892 8.2570 1406.9655 1.5142 1422.5759 0.1096 1424.2130 0.7402 1428.0445 0.0974 1429.5453 0.0158 1430.3901 0.2250 1430.5522 0.5876 1435.9024 0.6769 1440.9807 0.8564 1443.8741 13.6419 1448.2485 38.1979 1490.8950 1.0866 1491.9109 0.8231 1499.7067 2.0829 1503.6204 6.4972 1506.0319 2.7311 1508.4514 2.6170 1513.3138 0.4866 1513.5286 0.0480 1514.4943 0.6495 1515.3671 0.0148 1515.7908 0.5273 1516.0339 0.0528 1517.7762 1.5917 1518.4940 0.6990 1519.8664 0.4651 1522.6525 0.1448 1525.2341 5.1855 1525.6270 1.2949 1527.9776 1.0577 1529.9751 5.6942 1533.5875 0.1268 1534.4457 0.1446 1535.7955 1.5057 1538.8556 1.3610 1542.6121 3.0172 1543.2063 0.1351 1546.2138 5.3108 1550.8024 3.3411 1551.7735 0.1781 2364.3477 0.3129 2995.0790 30.3527 3009.9952 0.3312 3010.4618 0.0357 3010.7069 8.8156 3011.2986 0.1601 3012.4897 0.8494 3013.4612 2.5445 3013.7017 5.2283 3014.5455 0.0580 3015.4878 0.3525 3017.2411 2.5282 3018.0330 20.2449 3019.0701 28.8154 3022.7271 1.9191 3025.7289 75.0276 3026.8541 24.5456 3026.9747 33.4750 3029.5116 207.9164 3030.8750 0.9966 3031.5301 1.1306 3032.7930 29.1556 3033.5420 1.2764 3034.2488 62.4396 3036.7187 2.7912 3036.9250 26.4437 3041.1365 45.8664 3041.7722 4.6606 3043.2762 0.2539 3043.3712 31.1588 3045.1757 39.6146 3045.4278 9.7296 3047.0700 71.2253 3048.5704 5.4490 3050.6405 0.1021 3052.1357 31.3846 3053.1126 3.1041 3053.5241 14.8244 3056.7273 36.6560 3056.9787 0.9163 3064.8688 5.2180 3070.0124 35.0191 3071.9331 3.2473 3077.6374 200.5952 3086.8769 154.3559 3089.0848 47.5266 3092.1160 140.9331 3105.7964 69.9626 3110.2843 44.8546 3116.0409 19.9328 3118.9003 10.4124 3126.6767 38.3203 3127.1040 19.3954 3132.0119 10.8713 3134.3824 30.9634 > 0.06791 GHz 0.04030 GHz 0.02581 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$