NIST 08021411313D 1 1.00000 -1035.32089 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 31 31 0 0 0 0 0 0 0 0999 V2000 -4.6791 1.4136 1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 2.7624 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 0.8689 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2573 2.9472 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 1.8095 0.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0039 -0.5028 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 -0.8809 1.4157 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5603 -0.1586 0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8446 -1.2852 2.0183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 -0.4674 0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -1.0833 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 -1.2540 0.2399 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -2.2382 1.2595 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 0.1218 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -1.7898 1.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1019 -2.6882 -0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5593 0.8920 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3581 3.4976 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6943 3.7863 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 -1.8428 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 0.2033 -0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 0.7237 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3681 -0.2223 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 0.4663 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 0.9853 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 -2.2440 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -2.5253 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -0.9371 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -2.3484 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0722 -3.1721 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 -3.4409 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 17 1 0 0 0 0 2 1 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 5 1 0 0 0 0 4 2 2 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 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. > 2014-08-02 > 71428-92-7 > B3LYP/6-31G* > 5.5846 debye > -1035.32088588 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.4050 0.0039 25.3313 0.5984 49.0083 0.5128 51.8196 0.3089 84.5290 2.9696 100.3983 2.9661 103.8867 0.9202 131.0320 0.2809 134.0937 1.9135 148.6404 0.0410 153.0727 0.0034 170.8799 0.0437 186.5730 1.5292 191.1079 1.2324 195.7333 0.2049 212.0101 4.5044 248.0861 15.3260 267.3049 5.1368 276.8463 11.9072 329.7054 27.2958 433.0784 0.0375 568.4931 3.5140 572.1622 9.7093 592.5269 12.4854 597.5335 1.6757 610.3407 0.4191 657.4492 66.9554 669.4583 5.1726 700.8269 4.2763 701.8385 5.3458 709.4970 0.1113 712.5561 20.8849 744.9446 1.1014 756.7963 158.2210 759.1069 70.3724 791.3542 25.7832 794.6469 21.1509 841.6061 8.3917 894.5442 68.2625 897.7819 116.7784 898.5109 297.9102 901.4718 53.0957 902.5305 2.6105 940.8195 2.0706 961.1590 61.9299 1025.3329 2.6984 1038.2108 40.9958 1108.0012 6.8702 1148.9546 18.6947 1188.9289 16.9489 1227.7582 15.7587 1250.2761 0.0836 1254.7276 57.8208 1267.0011 471.0883 1330.3828 45.8699 1332.3963 43.6419 1341.2352 27.2466 1375.9792 149.0239 1405.7615 481.8831 1435.1429 9.8968 1481.1537 0.0508 1490.4471 9.8123 1491.3593 7.0680 1491.7546 0.9211 1494.3076 5.7742 1499.4316 1.9692 1511.1509 21.1558 1518.9559 69.8295 1529.9064 39.5073 1636.1009 45.7481 1751.9470 414.7598 1801.3623 154.3523 3047.5816 1.3209 3048.2741 3.6722 3050.2074 5.5857 3054.3752 24.8305 3081.7221 9.0588 3116.0427 4.7254 3116.4947 6.2115 3120.5044 25.4731 3127.5457 11.7901 3142.0758 2.4278 3143.5033 7.5022 3270.7723 2.3357 3296.6232 0.4504 3301.8534 1.2908 3569.0904 122.9582 > 1.06421 GHz 0.18280 GHz 0.16461 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$