NIST 06181211503D 1 1.00000 -2234.23965 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 0.9054 0.0067 -0.0720 As 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 0.0067 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M RAD 1 1 3 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-06-18 > 12628-08-9 > B3LYP/6-31G* > 0.2693 debye > -2234.23964845 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 2150.5058 135.4871 > 0.0000000 GHz 211.2761913 GHz 211.2761913 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$