NIST 07021513173D 1 1.00000 -1071.14396 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 54 53 0 0 0 0 0 0 0 0999 V2000 -2.3199 1.7883 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5664 0.9850 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6668 -0.2873 -1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6305 1.7215 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 2.0421 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7972 -1.2543 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 2.7409 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -2.5074 -0.4994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3183 3.9499 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 -3.8828 -0.1788 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 4.4562 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4245 4.8868 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8883 -5.1878 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3561 -3.5716 1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1245 -4.4214 -1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 4.5573 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 5.0981 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 4.4919 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 5.2097 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5310 3.0879 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 1.2666 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5997 2.7618 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8426 -0.7136 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4764 1.0892 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2199 2.1542 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0249 2.5615 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 2.6031 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 1.0667 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5164 -0.8865 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3491 -1.3877 -1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 2.1710 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 3.7989 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 5.4519 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 4.5356 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 5.0334 2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 5.8803 0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 -6.1474 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1749 -5.3564 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 -4.8774 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9144 -4.4840 1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0929 -2.7948 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -3.2570 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4542 -4.6079 -2.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6765 -5.3493 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8573 -3.6687 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 5.2230 1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 3.5709 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 6.1177 -0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 6.2228 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2515 5.2837 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8358 4.6633 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 2.5769 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9248 2.4768 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3073 3.0933 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 23 1 0 0 0 0 4 2 1 0 0 0 0 4 24 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 7 5 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 11 33 1 0 0 0 0 12 35 1 0 0 0 0 13 37 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 42 1 0 0 0 0 15 44 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 16 46 1 0 0 0 0 17 16 1 0 0 0 0 17 48 1 0 0 0 0 18 17 2 0 0 0 0 19 18 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 54 1 0 0 0 0 21 1 1 0 0 0 0 22 1 1 0 0 0 0 25 4 1 0 0 0 0 26 4 1 0 0 0 0 30 6 1 0 0 0 0 31 7 1 0 0 0 0 32 11 1 0 0 0 0 34 12 1 0 0 0 0 36 12 1 0 0 0 0 38 13 1 0 0 0 0 41 14 1 0 0 0 0 43 15 1 0 0 0 0 45 15 1 0 0 0 0 47 16 1 0 0 0 0 51 19 1 0 0 0 0 52 20 1 0 0 0 0 53 20 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. > 2015-07-02 > 57305-02-9 > B3LYP/6-31G* > 0.9558 debye > -1071.14395783 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 10.6672 0.0208 12.0824 0.0329 18.6550 0.3608 22.9153 0.0778 29.7218 0.1864 33.3553 0.0201 45.7692 0.0147 51.8295 0.3370 68.4201 0.6225 70.3612 0.6830 79.7542 0.0559 102.7362 0.1813 120.1440 1.2676 129.1688 0.0508 146.6102 0.0170 150.0188 0.1824 152.1398 0.0093 154.2301 0.0981 159.7446 0.1310 182.7537 0.0724 188.7713 0.7375 189.6390 0.3787 199.6754 2.2216 208.9614 0.2689 230.3657 1.2302 263.1890 3.9052 280.7373 7.5450 287.6286 2.9756 293.8372 0.9247 317.9369 1.8224 335.2445 3.4697 345.6305 1.9889 374.4270 1.2426 400.8271 3.1177 420.1940 1.2106 453.5092 2.3014 459.5706 1.2698 491.9160 1.5526 510.0944 5.2577 539.7577 2.3555 585.4255 1.6525 598.5172 8.2500 604.3473 4.8746 682.0333 9.3836 694.7065 6.9749 697.9463 0.0982 758.1477 2.0524 767.0026 10.9868 770.6743 6.2053 774.5281 26.0364 789.1101 21.1241 807.0097 1.7397 818.4273 0.4129 835.1410 5.5276 868.5729 14.5932 875.6811 17.9191 884.6567 106.5753 886.3048 103.1389 902.4908 12.5165 922.4322 263.9642 973.7273 0.2318 984.3610 1.3945 992.3906 2.3950 1003.4444 14.9191 1012.7191 3.2516 1016.9934 0.1840 1025.0787 2.8977 1031.6055 1.5518 1044.7121 2.9504 1071.9010 17.9444 1079.4268 50.1570 1082.3246 0.2370 1093.2794 293.5194 1113.6157 125.3227 1118.5859 6.0361 1138.1459 30.6881 1145.5840 9.1054 1183.8842 3.4275 1189.3716 9.1805 1227.6985 8.8093 1253.4586 2.3230 1262.2742 7.3544 1288.5479 8.5711 1296.9707 2.4938 1303.7224 0.9702 1325.0435 1.1983 1329.0779 40.9175 1329.3168 0.3778 1329.5872 40.5251 1337.8223 23.7929 1375.4978 7.9371 1380.6608 3.1055 1385.4251 12.8623 1405.0173 5.6027 1415.2699 1.9962 1438.0700 38.8450 1438.8506 6.0070 1447.4521 1.2840 1448.9090 12.5822 1450.2634 1.4678 1486.1459 0.2730 1490.7225 0.3032 1492.1938 0.2238 1498.9944 1.3878 1500.3111 4.0294 1502.2056 0.6504 1504.0626 2.0751 1505.7689 0.9008 1508.9902 9.9993 1513.3896 0.2887 1514.7873 4.7819 1519.9012 2.7834 1520.6118 15.4063 1521.2232 1.6786 1522.2788 2.8717 1525.7204 5.7343 1532.0059 2.5046 1533.1771 7.1826 1537.0797 3.6065 1744.2168 2.2434 1751.2972 11.3244 1753.8003 1.4749 2977.6022 50.6306 3011.3710 29.1188 3021.8338 9.6741 3021.9085 24.4279 3026.7098 29.4477 3030.9990 51.3712 3033.1692 34.9150 3036.0332 53.2996 3036.5773 20.0557 3039.1966 2.9865 3041.2081 5.3614 3046.6484 5.6968 3049.3795 42.5905 3065.1079 10.0530 3070.3292 42.8532 3073.3483 8.5716 3077.3283 30.2858 3079.0577 11.8978 3081.1901 24.1854 3098.2764 19.3659 3101.4727 21.5366 3107.8911 1.0572 3110.7330 34.4340 3116.4258 12.3958 3116.8978 7.4380 3118.6093 5.2761 3118.9873 32.7148 3125.3036 33.8882 3126.0041 15.2753 3126.8957 64.8960 3140.5004 50.9940 3142.2164 25.2157 3146.9501 31.5820 3153.0542 19.6051 > 0.55732 GHz 0.06279 GHz 0.05873 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$