NIST 07251211063D 1 1.00000 -152.07018 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 4 4 0 0 0 0 0 0 0 0999 V2000 0.0769 1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 3 4 2 0 1 4 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. > 2012-07-25 > 12184-80-4 > B3LYP/6-31G* > 0.0000 debye > -152.070184281 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 319.5790 43.1040 504.5494 47.0106 956.9447 0.0000 1027.4856 0.0000 1295.7619 0.0000 1401.6713 245.0397 > 37.60393 GHz 13.64944 GHz 10.01442 GHz > Gaussian 09, Revision C.01 > Daniel Du $$$$