NIST 08031215063D 1 1.00000 -542.70974 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 7 6 0 0 0 0 0 0 0 0999 V2000 21.0269 38.9531 0.0440 F 0 0 0 0 0 0 0 0 0 0 0 0 21.0268 37.6354 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2646 37.1653 0.0156 F 0 0 0 0 0 0 0 0 0 0 0 0 20.3798 37.1671 1.1022 F 0 0 0 0 0 0 0 0 0 0 0 0 20.2951 37.1199 -1.2212 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2440 35.9049 -1.3122 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8523 37.9598 -1.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 5 7 2 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 > 335-02-4 > B3LYP/6-31G* > 1.6390 debye > -542.709735865 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 19.5507 0.0884 270.0136 4.9945 274.8047 1.7966 389.6756 0.1632 431.8247 1.5964 518.3277 8.5257 604.8720 0.8562 745.1694 53.8411 758.1499 5.7086 863.4852 23.7371 1155.4425 226.1854 1308.9183 306.9507 1347.0947 238.7335 1423.4114 30.4404 1720.0198 283.2436 > 3.93483 GHz 2.65513 GHz 2.20830 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$