NIST 07131505073D 1 1.00000 -2243.49629 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 75 74 0 0 0 0 0 0 0 0999 V2000 0.2862 -0.6898 -1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 0.2156 -1.0922 P 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 0.2401 -1.5517 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 -0.2310 -1.4222 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 1.3399 -1.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 -0.8833 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -1.6192 -2.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 0.9721 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 1.9134 -3.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 2.4220 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 -0.9609 -1.0812 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7212 -1.2822 -2.0975 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 0.6831 0.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 1.3012 -2.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 2.1951 1.2077 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 1.7981 3.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 3.4201 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 2.7850 0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -1.5032 -3.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 -2.8847 -1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9118 0.1731 -2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4028 3.0805 3.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2168 0.7277 3.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 1.2643 3.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6909 -3.3088 -2.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 -2.6431 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4149 -4.0169 -1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 -1.3703 -2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 -1.3183 -0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 0.9321 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 -1.1413 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 -1.7935 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 -0.1448 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 -1.2943 -3.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5503 -1.9848 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -2.4772 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2399 1.8655 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9326 0.5609 -0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 0.2374 -2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 2.7874 -3.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 2.2494 -3.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 1.1829 -3.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 2.0780 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 3.3227 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 2.7187 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 4.4056 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 3.5383 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 3.0740 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9841 2.0680 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 3.7480 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 2.9165 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -1.7039 -4.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5825 -0.5841 -4.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3656 -2.3271 -3.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2565 0.3679 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4067 1.0750 -2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7955 0.0024 -2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 2.8656 4.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 3.8681 3.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4149 3.4904 3.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 0.4808 4.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -0.1982 2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2531 1.0745 3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 0.3553 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 2.0037 2.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 1.0186 4.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1326 -4.2286 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4269 -3.5141 -3.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4768 -2.5433 -2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3152 -3.5667 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0624 -2.3283 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6829 -1.8750 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5244 -3.7561 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8359 -4.9372 -0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -4.2535 -2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 15 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 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 27 75 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. > 2015-07-13 > 959111-31-0 > B3LYP/6-31G* > 1.1648 debye > -2243.49629454 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 12.3463 0.0405 15.1670 0.0192 21.7803 0.0466 23.5602 0.0273 27.5645 0.1892 29.5719 0.0699 37.3917 0.2072 42.7801 0.0827 46.3699 0.3007 51.5139 0.4889 63.8365 1.4573 73.7250 1.2519 96.3798 0.8713 112.7146 1.8509 122.1638 1.6343 132.0352 2.7460 138.8629 1.3767 141.0725 0.0587 147.5922 1.4220 148.2635 0.4824 153.6183 0.2829 154.6425 0.9100 158.4492 0.1514 163.4616 0.1556 165.8693 0.1410 170.4474 1.2981 176.1026 0.9059 194.6457 8.1242 202.8816 2.4394 207.7552 2.2271 211.1503 2.7079 213.1539 1.2033 218.6180 1.4790 222.8712 1.4798 232.5653 0.1650 233.5432 0.1215 236.7826 0.0911 242.4697 0.3274 244.4203 0.8796 258.4465 0.4080 270.0259 0.3871 274.8994 1.4999 278.5350 3.2832 279.5435 2.0422 281.0192 0.6432 283.3636 0.0513 293.4818 2.9145 297.6061 1.5015 303.2686 0.5197 309.7504 2.9822 315.6695 5.5808 330.3197 5.9152 337.0632 13.1846 353.4598 24.8077 370.5550 18.0806 377.0494 12.5811 389.6680 0.2456 391.8163 1.9855 394.0141 0.5768 395.2740 1.5746 397.6621 6.1269 405.9622 2.8357 469.6115 51.5547 505.9219 121.9713 532.5334 60.8050 553.0184 7.3818 560.1132 7.6092 565.5287 2.7409 625.8782 8.2314 640.1420 5.5206 656.5121 11.9172 683.1432 11.5361 693.7465 37.3081 694.8090 4.6517 696.6410 9.4077 706.4333 31.6255 756.8049 21.2611 759.4922 43.7514 770.8017 0.0954 772.7592 5.6348 783.5944 21.2427 805.3265 49.6982 808.0656 59.6218 813.5105 127.6373 829.4915 12.0300 829.9145 3.3831 830.3891 10.9641 855.8292 171.3124 859.8113 514.0805 873.6697 10.8190 884.0924 70.0778 889.1548 5.8883 892.8532 244.0518 917.8482 50.3540 953.2056 172.5723 954.0879 12.4771 955.2319 2.5031 955.3753 12.3908 956.3089 9.4240 956.7067 2.7510 968.7340 736.9169 974.2014 2.5494 974.9901 0.1248 975.1311 2.2547 999.6432 454.5434 1041.0905 1.8657 1041.8614 5.5761 1042.0179 6.0119 1044.3660 4.4617 1044.8531 8.5100 1046.3772 2.9443 1129.8516 115.2945 1201.6114 25.9194 1224.7568 0.1426 1225.4551 0.0378 1226.3576 0.0810 1227.1483 0.9201 1227.3983 2.8274 1227.6641 1.8664 1245.1376 144.7806 1246.6436 8.9063 1251.1280 6.3650 1252.3983 8.6597 1324.0307 14.2914 1326.6668 26.0547 1327.8005 42.2694 1328.0895 44.7641 1332.0860 21.2079 1335.8562 33.1070 1335.9649 18.1147 1424.5823 6.5739 1424.7014 5.6818 1425.4729 2.7331 1426.4775 1.0408 1427.9421 1.1541 1428.4444 1.1259 1444.3312 61.7937 1457.2465 2.9676 1458.2400 3.4770 1460.5604 0.3516 1482.7388 0.2155 1485.7725 0.0372 1489.8579 0.2824 1491.0858 6.0295 1493.8341 1.8915 1494.5983 0.7905 1497.3544 4.7183 1498.3479 7.6226 1500.3255 4.6616 1502.4931 5.6194 1503.1024 15.3057 1508.3024 20.0466 1510.1090 10.2109 1515.6521 1.3879 1515.7487 0.4492 1516.8333 0.0952 1518.3172 0.9078 1518.6107 0.1676 1519.4255 0.3539 1519.6314 0.4176 1520.6240 0.1072 1521.0180 0.8848 1536.2864 2.2780 1537.1158 2.8100 1537.8243 5.5801 1538.4780 6.9345 1538.9312 4.8870 1540.9590 7.1570 1545.0061 14.5483 1545.9058 19.6759 1546.8904 18.6626 2968.6258 67.7824 3019.7698 25.7444 3020.8421 25.8128 3021.8743 25.5562 3022.2407 22.1215 3022.3142 37.0316 3022.5878 21.1525 3027.2182 72.1959 3028.7733 53.5869 3029.4495 65.7358 3039.4779 5.9634 3045.2052 2.8872 3046.8133 3.1315 3047.6798 3.1325 3049.9417 6.3888 3051.1514 3.9377 3078.6022 19.7271 3080.8282 7.0900 3081.2273 12.7077 3081.2475 8.0623 3083.3645 14.9545 3083.8337 25.1227 3086.2528 78.3436 3087.1336 51.0301 3087.9272 82.1934 3098.2443 5.9801 3100.8435 29.3989 3101.2035 35.3358 3101.3947 17.7654 3103.2999 28.1187 3108.2539 35.0594 3110.5298 20.2368 3111.4263 20.5948 3111.5503 11.8281 3114.7117 53.6919 3115.3503 47.3770 3115.7452 8.3704 3115.9573 48.2179 3118.9878 7.0135 3119.9845 14.9122 3121.9650 11.7268 3125.0504 15.4458 3127.0748 12.5232 3128.1698 9.2702 3130.2411 8.9657 3134.9010 7.2552 3135.5981 5.0089 3539.8698 10.5671 > 0.16222 GHz 0.09493 GHz 0.07162 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$