NIST 08101209293D 1 1.00000 -339.83375 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 8 7 0 0 0 0 0 0 0 0999 V2000 1.2176 1.3989 0.0523 B 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 0.0918 -0.1531 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 1.8766 0.5871 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 2.1852 -0.2825 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 3.5996 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 3.8725 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 4.0820 -1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 3.9383 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 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 > 381-59-9 > B3LYP/6-31G* > 2.2582 debye > -339.833754143 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 74.6530 0.0141 155.5497 2.8836 242.3532 4.8949 450.3596 14.2093 533.5162 2.2066 669.8881 66.5762 817.6357 8.7652 1106.9804 47.8768 1202.9818 0.2372 1216.7185 15.2659 1426.6349 253.5894 1463.7076 445.8973 1530.8365 3.2040 1535.6892 0.0656 1561.2810 255.1967 3063.5768 39.2989 3137.9449 27.8306 3147.1745 22.5360 > 9.58898 GHz 3.93858 GHz 2.84202 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$