NIST 07101512323D 1 1.00000 -740.43600 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 37 36 0 0 0 0 0 0 0 0999 V2000 51.8836 25.2471 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7111 24.2974 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8538 26.5272 0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0239 27.4766 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9984 28.7550 1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 54.1099 29.6682 0.9983 N 0 0 0 0 0 0 0 0 0 0 0 0 54.1065 31.0903 -0.0127 Si 0 0 0 0 0 0 0 0 0 0 0 0 52.8192 32.3188 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8458 31.8212 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7145 30.7340 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5675 22.0776 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7420 23.0204 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8306 24.7166 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 51.8859 25.5176 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 49.7634 24.8276 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 50.7087 24.0236 1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 50.9045 27.0551 0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 51.8561 26.2580 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 53.9745 26.9510 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 53.0245 27.7572 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 52.0623 29.2972 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 52.9684 28.4723 2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 55.0116 29.2529 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 52.7774 33.2160 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 51.8109 31.8865 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 53.0556 32.6339 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 55.9288 32.7376 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 56.6074 31.1237 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 56.0993 32.0757 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 52.7280 30.2687 -1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 53.7127 31.6565 -2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 54.4540 30.0544 -2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 49.6197 21.1752 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 49.5570 21.7600 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 48.6076 22.5676 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 51.6881 22.4898 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 50.7446 23.2943 -1.8063 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 13 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 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. > 2015-07-10 > 17940-17-9 > B3LYP/6-31G* > 0.6000 debye > -740.436003959 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 23.4087 0.0167 30.2364 0.0350 43.7659 0.1035 65.9970 0.3362 78.9680 0.0862 103.5224 0.2729 132.0908 0.2572 134.7349 0.0566 149.8549 0.7903 155.0382 0.0368 158.1418 0.1473 173.2631 0.2788 185.5008 0.2146 190.6124 0.5811 204.8152 0.1783 220.6950 1.5528 248.9987 0.0058 254.5609 6.8320 277.1639 6.1808 335.7958 35.9795 362.0751 1.1798 386.0352 49.6801 471.9610 0.5625 490.1719 8.4391 591.8662 2.4066 677.1300 16.0724 690.5809 7.9029 696.2372 0.0370 735.4621 15.9275 739.5071 3.4634 748.5147 2.5730 774.4731 8.4238 778.6185 19.1786 801.3024 13.5709 849.1801 0.9095 878.6726 104.1193 882.3320 83.5447 905.2262 12.3928 913.3817 187.1278 942.4420 12.9313 994.9159 4.7582 1031.7858 2.8770 1033.5497 4.0608 1055.1745 4.9429 1068.6141 1.8785 1076.3763 1.6334 1134.7754 92.9510 1150.3730 54.0398 1159.4250 28.6412 1232.8073 2.0639 1257.6848 1.8702 1281.1115 4.9980 1314.1396 5.0489 1325.3742 17.0222 1326.8691 34.5526 1328.0717 22.6266 1336.0428 17.5557 1339.9801 1.4016 1350.2003 1.1042 1352.1522 0.2701 1373.5476 3.8513 1410.1869 0.3245 1424.1682 3.7930 1427.3806 0.1982 1441.2619 1.4018 1451.6598 75.2282 1488.4346 0.6356 1491.7689 0.1565 1493.9607 0.5299 1500.3529 1.4324 1502.9270 2.8909 1510.4266 5.5017 1513.7746 0.7895 1514.8341 0.0408 1517.5707 0.3599 1523.2873 0.5798 1529.8422 5.8105 1531.7504 0.9106 1539.4654 0.2062 1545.0800 3.7784 2994.7154 52.3324 3010.7293 0.8687 3012.0213 3.6540 3015.7778 1.4105 3021.8690 30.2012 3028.7996 109.7870 3031.6726 1.2229 3033.6578 7.0783 3037.9220 3.5985 3039.4165 5.4787 3040.8964 44.0032 3042.2090 4.6529 3049.7515 16.4469 3055.3733 6.8667 3068.4763 11.7671 3078.7246 155.5698 3102.0417 8.1020 3105.2844 70.4739 3106.9771 31.7421 3109.4734 8.6418 3110.2567 44.9681 3111.5497 36.3350 3118.7641 2.5430 3120.7921 31.6328 3560.7055 3.7166 > 2.12671 GHz 0.18594 GHz 0.18430 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$