NIST 08031215083D 1 1.00000 -1073.42743 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 9 8 0 0 0 0 0 0 0 0999 V2000 34.9935 26.9677 0.0008 S 0 0 0 0 0 0 0 0 0 0 0 0 33.3936 26.0713 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1219 25.5220 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4383 27.0017 0.1000 F 0 0 0 0 0 0 0 0 0 0 0 0 33.1931 25.4190 -1.1857 F 0 0 0 0 0 0 0 0 0 0 0 0 33.2821 25.1857 0.9621 F 0 0 0 0 0 0 0 0 0 0 0 0 35.8807 24.6624 -0.9621 F 0 0 0 0 0 0 0 0 0 0 0 0 37.3625 26.0105 -0.1016 F 0 0 0 0 0 0 0 0 0 0 0 0 36.0559 24.8427 1.1855 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 1 0 2 6 1 0 3 7 1 0 3 8 1 0 3 9 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 > 371-78-8 > B3LYP/6-31G* > 0.4095 debye > -1073.42743265 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.8965 0.0003 75.9235 0.0390 129.3071 0.7480 274.5248 0.4598 278.8098 0.0019 296.4826 0.0866 357.7452 0.0213 466.2241 2.1190 470.1954 6.0929 533.8779 0.7417 534.1954 0.2297 536.5757 3.1402 583.1302 2.7591 758.7083 42.2620 761.8170 6.4985 1080.8322 519.1899 1169.4304 132.1230 1202.4134 232.3984 1207.9866 0.2741 1236.1864 485.9442 1264.4202 367.1797 > 2.50548 GHz 0.96652 GHz 0.92381 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$