NIST 06161409143D 1 1.00000 -924.57650 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 0.0552 0.0000 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 0.0000 0.0000 O 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. > 2014-06-16 > 12137-20-1 > B3LYP/6-31G* > 1.4342 debye > -924.576502788 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 1131.3482 221.3215 > 0.0000000 GHz 16.9828713 GHz 16.9828713 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$