NIST 07021513133D 1 1.00000 -1399.28057 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 43 44 0 0 0 0 0 0 0 0999 V2000 -4.2735 0.3629 -0.1005 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 1.7389 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0139 2.2337 -0.2054 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9661 -0.0497 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 1.1244 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.9360 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3248 -0.2938 0.2448 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 -1.3424 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 -1.2976 0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 1.9125 0.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 3.6117 -0.1533 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 4.0235 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 4.0613 -1.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 4.4233 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 -2.5778 0.4577 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 -4.1576 0.5518 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 -5.3736 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5726 -4.2332 2.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3493 -4.5276 -1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4469 -0.4911 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1324 2.3162 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 5.1012 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3559 3.7216 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4761 3.5080 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 5.1394 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 3.8033 -1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1044 3.5396 -2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 4.1123 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 5.5156 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 4.1627 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -2.5161 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 -6.4020 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -5.3361 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 -5.1734 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0755 -5.2067 2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3397 -3.4559 1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 -4.0806 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -3.7549 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -4.5559 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 -5.4968 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3306 0.1193 -0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3621 -1.2643 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5573 -0.9777 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 6 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 8 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 8 7 2 0 7 6 1 0 6 5 2 0 5 3 1 0 3 2 2 0 2 1 1 0 1 4 1 0 5 4 1 0 4 9 2 0 8 9 1 0 2 21 1 0 12 22 1 0 12 23 1 0 12 24 1 0 13 25 1 0 13 26 1 0 13 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 17 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 20 43 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 > R94008 > B3LYP/6-31G* > 3.1810 debye > -1399.28056778 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 19.5939 1.3088 35.0350 0.0844 42.4593 0.1074 46.0513 0.0283 58.1433 0.6054 60.9746 0.2814 91.2503 1.2094 111.2436 1.1177 127.5262 0.0248 135.1730 0.0096 141.2120 1.4882 144.7192 0.6611 147.3528 0.2596 151.1633 0.3882 155.1542 0.0585 161.3500 0.1748 168.8403 0.1208 173.8356 0.7684 183.4671 0.0103 195.7889 0.1907 206.5909 0.4104 218.5674 3.7688 219.9251 0.6831 227.4603 4.2760 252.9428 8.7701 260.2419 2.0896 274.9834 0.5185 299.6138 16.2182 308.0152 2.5473 363.1551 0.0040 390.7916 27.9023 452.4236 16.3201 542.6256 5.9173 551.5974 51.4978 578.1690 4.4056 591.0793 3.1631 621.4360 5.7529 645.1396 13.3209 655.4076 59.1984 684.3473 0.9101 692.2079 8.7889 694.0006 10.7752 697.5697 6.0879 698.3751 5.3755 703.5273 0.3706 713.0849 0.0256 732.1211 11.7086 745.2696 0.9805 764.0583 44.7782 786.6584 1.9446 791.2835 20.7615 792.6008 29.8137 798.3967 42.4596 825.4156 0.7171 826.2660 20.0980 836.9753 1.9236 872.0050 3.9436 887.5134 101.5472 890.7778 341.9928 897.3820 116.6069 899.6186 41.1657 902.5625 631.9683 921.1485 18.0510 1043.2586 37.4797 1075.3156 43.9200 1105.7395 186.3487 1162.9433 0.7298 1233.8518 119.5825 1253.9219 39.0018 1310.9660 48.8986 1321.1967 37.6654 1323.8719 27.8223 1323.9723 50.7183 1327.4408 35.5157 1334.1961 19.8368 1339.1419 10.3081 1342.4602 338.9063 1363.4312 151.3273 1380.4366 82.2502 1445.9819 390.9636 1480.6323 235.8920 1482.1629 0.4892 1483.1098 0.6938 1491.0844 53.6366 1491.9377 2.8789 1493.0194 3.5494 1494.1102 22.8603 1495.1764 8.5194 1495.5612 1.1088 1501.1451 239.6362 1502.3197 2.6550 1505.8323 1.5043 1506.2600 9.0001 1513.4840 24.1223 1516.5722 121.3440 1521.8930 167.1989 1541.3610 37.0070 1566.3627 112.1348 1610.0568 584.5378 1658.7229 451.4043 3041.5405 4.8313 3044.2270 6.4114 3044.5497 7.3193 3044.9233 4.1189 3046.4678 11.3994 3047.4851 14.7952 3068.6883 39.4620 3111.8872 5.3532 3112.4438 12.7773 3112.7841 0.6466 3113.0453 0.1546 3115.3200 22.3409 3116.0838 44.6274 3118.4009 27.0731 3127.0282 13.1918 3134.8734 12.6737 3137.2828 2.4238 3138.2924 21.2829 3147.6625 1.2615 3148.3879 4.6729 3159.5185 10.3242 3256.0111 1.7253 3593.2716 40.8906 > 0.47702 GHz 0.15403 GHz 0.12607 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$