NIST 07291414113D 1 1.00000 -1077.94848 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 39 40 0 0 0 0 0 0 0 0999 V2000 -4.2855 -3.5210 -1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 -3.9557 -1.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4238 -2.8291 -1.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3864 -3.6925 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 -4.7086 -1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5053 -2.5919 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5068 -3.0153 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4787 -1.9153 0.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8185 -2.6183 2.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1513 -2.1030 1.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1319 -6.2465 -1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -6.9509 -2.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -6.5509 -0.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -7.9922 0.1427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1571 -8.3510 1.3802 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 -10.2349 1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 -7.6373 3.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8757 -7.7100 0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -3.7218 -3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1968 -2.4911 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6237 -4.0209 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9857 -4.4959 -2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 -4.3403 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8497 -2.8253 2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 -1.1414 2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -6.5916 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 -8.0245 -2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3798 -6.7994 -3.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 -6.5580 -2.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 -6.3837 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -10.6171 2.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4452 -10.6597 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -10.6166 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2567 -7.9026 3.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 -6.5443 2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 -8.0220 3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8703 -6.6229 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2438 -8.1634 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5948 -7.9483 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 5 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 1 2 1 0 2 4 2 0 4 7 1 0 7 9 1 0 9 10 1 0 10 8 1 0 8 6 1 0 7 6 2 0 6 3 1 0 1 3 2 0 1 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 16 31 1 0 16 32 1 0 16 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 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. > 2014-07-29 > U352975 > B3LYP/6-31G* > 0.2856 debye > -1077.94847908 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.2814 0.0249 28.4924 0.0658 35.3055 0.1404 57.0384 0.4671 70.0946 1.2453 75.1025 3.3153 98.2819 4.6241 121.7064 0.0052 140.6891 0.0577 148.4061 1.1668 161.4709 0.0198 173.5940 0.3319 181.4335 0.3075 197.8728 0.0609 217.3035 1.0419 227.8336 0.3136 239.7399 0.2616 253.9456 3.4936 256.2168 1.0747 294.8197 6.1126 298.9563 12.4127 327.9321 1.3370 353.6650 2.9235 427.5920 0.9479 437.8088 5.1531 454.7488 7.1375 498.9692 10.3818 537.5458 3.9684 596.7678 0.5694 617.2009 1.5445 651.6049 4.0049 689.4129 6.8781 693.3021 7.9955 704.5330 0.4153 713.0352 1.2381 733.9550 1.7386 761.7856 32.5122 780.9953 8.1965 781.4857 20.5259 794.0709 27.1650 820.2130 31.5763 827.0712 17.2542 836.5409 13.3839 871.1806 34.6468 887.0220 102.3735 890.2232 95.3361 896.9947 16.2381 919.2734 154.0159 921.3917 43.4450 936.3069 57.7690 945.5854 21.1354 968.4110 57.1669 977.8245 25.5918 1034.0062 36.7904 1073.6600 107.7645 1096.3494 23.6733 1127.7012 10.5100 1133.4782 10.8886 1152.4817 6.9388 1157.1732 10.0613 1182.9930 23.0850 1210.9197 6.3050 1226.4201 24.2609 1266.1418 24.8021 1295.7812 233.2227 1307.4572 9.4427 1325.1828 42.9192 1327.6132 33.8343 1332.0269 5.8515 1334.7546 19.0518 1374.1050 9.4100 1388.1941 5.3214 1413.3423 9.8189 1427.2677 9.0677 1448.5292 5.6941 1479.7590 13.5217 1484.9313 0.7299 1488.7016 65.8324 1491.9990 0.1298 1493.7796 1.0849 1497.4917 3.5902 1500.6597 1.9134 1509.9122 0.7847 1512.0311 7.0289 1521.9595 4.5824 1533.9882 5.7144 1541.3424 222.7379 1574.6579 0.0570 1665.3229 4.3044 1680.8845 0.4083 3020.4315 140.5978 3022.6262 12.3039 3038.7983 30.3067 3042.5111 5.7744 3043.5365 2.8101 3045.8870 6.9679 3074.1466 20.2635 3082.9404 8.3587 3105.3770 39.9259 3110.9955 8.0001 3112.4019 7.1076 3115.8243 61.6892 3116.4384 29.6563 3123.7355 14.1865 3126.5490 14.3717 3130.5951 9.6757 3147.8081 13.7764 3187.2652 12.3755 3225.0594 8.2776 3237.1055 2.5001 3410.7565 1.5064 > 0.53924 GHz 0.21911 GHz 0.17561 GHz > Gaussian 09, Revision D.01 > Sarah Pan $$$$