NIST 08031215063D 1 1.00000 -75.72345 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 2 1 0 0 0 0 0 0 0 0999 V2000 -0.0203 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 M RAD 1 1 2 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 > 3352-57-6 > B3LYP/6-31G* > 1.7574 debye > -75.7234547454 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 3647.9451 1.6512 > 0.0000000 GHz 551.9945338 GHz 551.9945338 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$