NIST 08101209293D 1 1.00000 -386.83351 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 14 0 0 0 0 0 0 0 0999 V2000 7.1563 2.8995 -0.9385 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 1.8597 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 0.6249 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 2.0474 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 -0.4440 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1119 0.9746 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6326 -0.2871 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 -1.3477 0.2302 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 0.5073 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 3.0229 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 -1.4113 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 1.1178 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 -1.2885 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1785 -2.2674 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 7 8 1 0 2 3 1 0 3 5 2 0 5 7 1 0 7 6 2 0 6 4 1 0 2 4 2 0 3 9 1 0 4 10 1 0 5 11 1 0 6 12 1 0 8 13 1 0 8 14 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. > 2012-08-10 > 371-40-4 > B3LYP/6-31G* > 2.8515 debye > -386.833505471 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 154.8126 1.4082 263.6281 22.9009 331.1770 0.0775 365.0060 7.1823 426.3112 0.5371 437.1547 1.4730 464.0372 1.6044 514.7006 35.0975 640.3401 326.3734 655.1792 0.0628 701.2613 23.6386 767.5888 6.0260 810.7248 0.1015 834.6848 81.4450 867.4580 6.5710 922.5890 0.5423 930.7752 0.0016 1030.4861 1.2896 1094.4524 4.2250 1155.2410 9.7186 1188.7883 0.7261 1274.4123 134.9081 1318.7819 9.5056 1330.9874 0.2993 1370.2262 10.0888 1485.7235 0.0164 1567.8209 210.1746 1653.0787 0.3822 1677.8038 5.5176 1697.7272 62.9663 3182.1539 14.0077 3182.5959 18.2304 3219.9018 7.8894 3220.2686 4.2298 3544.3670 9.4075 3641.4869 7.4664 > 5.59163 GHz 1.44103 GHz 1.14707 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$