NIST 06171415273D 1 1.00000 -1.17548 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 -0.0254 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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. > 2014-06-17 > 1333-74-0 > B3LYP/6-31G* > 0.0000 debye > -1.17548238771 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 4453.0972 0.0000 > 0.0000000 GHz 1817.7430507 GHz 1817.7430507 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$