NIST 08031215023D 1 1.00000 -796.32597 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 -0.0875 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 > 23550-45-0 > B3LYP/6-31G* > 0.0000 debye > -796.325974310 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 697.3686 0.0000 > 0.0000000 GHz 8.4925651 GHz 8.4925651 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$