Reference Label Details
Ruscic G3B3G3B3LYP calculation; B3LYP/6-31G(d) frequencies are scaled by 0.9614 (see Scott 1996)
Jacox 2003M. E. Jacox, J. Phys. Chem. Ref. Data, 32, 1-441 (2003)
Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement B
Ruscic G3G3 calculations
Ruscic CBS-nCBS-Q, CBS-QB3, CBS-APNO calculations
Curtiss 1995L. A. Curtiss, D. J. Lucas, and J. A. Pople, J. Chem. Phys. 102, 3292-3300 (1995)
Energies of C2H5O and C2H5O+ Isomers