NIST 08031215013D 1 1.00000 -237.68979 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 3 2 0 0 0 0 0 0 0 0999 V2000 0.0403 0.0932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 1.9804 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 M RAD 1 2 1 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 > 2154-59-8 > B3LYP/6-31G* > 0.6323 debye > -237.689793291 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 658.4006 3.0949 1142.9675 322.7495 1251.4678 102.3455 > 84.88715 GHz 12.41052 GHz 10.82753 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$