NIST 08031215063D 1 1.00000 -330.53407 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 23 0 0 0 0 0 0 0 0999 V2000 -3.7735 1.2043 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 2.1113 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 -0.0388 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5946 2.5115 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8867 1.2576 -1.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 3.3826 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 0.3522 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5707 4.6597 0.5816 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4073 0.9094 1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9616 1.7744 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7802 1.5833 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 3.0103 1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1727 -0.6456 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8065 -0.6703 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 3.1174 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6989 0.6855 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2561 1.5542 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2199 3.6175 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6462 2.7879 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 -0.5460 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 0.8827 -1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3808 5.2717 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4456 4.5045 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 6 8 1 0 1 2 1 0 2 4 1 0 4 5 1 0 5 7 1 0 7 3 1 0 1 3 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 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. > 2012-08-03 > 3218-02-8 > B3LYP/6-31G* > 1.2469 debye > -330.534068915 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 94.1412 1.8055 131.1033 5.0638 212.8313 2.8842 225.9069 0.5817 256.5708 57.1146 321.3045 1.8743 363.7768 0.5823 427.3445 0.3437 442.0700 0.0978 476.1973 7.3022 544.3120 1.7071 783.4594 0.3995 801.0488 0.1463 849.2006 5.6082 853.8393 25.6065 883.7063 88.2628 909.9087 6.5917 936.2324 4.1041 950.6496 3.7085 984.5416 10.5745 1044.8055 0.6267 1060.9404 7.5872 1064.6214 2.7005 1094.7362 0.1651 1100.5332 0.5465 1131.8929 4.2002 1163.8518 4.3942 1192.4117 1.8919 1240.5740 2.9061 1277.3573 2.7823 1302.2398 3.0516 1304.1173 3.0692 1322.7811 0.8108 1352.4499 0.0769 1368.5364 1.5452 1384.9751 1.3372 1396.6688 1.6287 1400.5657 1.4389 1403.1849 2.0842 1419.9907 1.1632 1447.1016 14.6498 1510.4052 0.0413 1513.8636 0.5998 1517.3314 1.8973 1521.1753 8.6448 1532.5164 1.9498 1538.1545 0.5962 1698.4732 31.8815 2935.3786 68.5757 3001.0759 17.6152 3009.1218 15.9712 3019.1106 16.3732 3022.5157 12.1642 3023.4588 14.2492 3027.5212 68.5267 3055.4493 9.3668 3064.4567 108.9706 3067.5024 66.5436 3067.9604 41.6553 3071.2707 12.5839 3076.3826 123.3145 3469.5942 2.6126 3550.5970 0.8291 > 3.84592 GHz 1.29231 GHz 1.04001 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$