For thermodynamic and kinetic parameters, this work used Arkane, which is freely available as part of the Reaction Mechanism Generator software suite. The partition function for each molecule and transition state was obtained using the rigid-rotor harmonic oscillator approximation with independent 1-D hindered rotor corrections. The data from the scans were fit using a Fourier series and separated from vibrations following Goldsmith et al. In a few cases in which relaxed scans broke hydrogen bonds but did not reform them dur-ing the scan and in which rigid scans were not accurate, the resulting Fourier fits gave unrealistic negative energies, so a cosine fit was used instead. Moments of inertia for each rotation were estimated using the lowest-energy conformer geometry. Vibrations were treated harmonically and their frequencies were scaled differently based on the usage. Scale factors of 0.99 28 and 1.004 were applied to the frequencies for zero-point energy and the vibrational partition function, respectively. Standard enthalpies, entropies, and heat capacity were obtained from the partition function, with energy adjustments based on atoms, 30 bonds, and zero-point energies. These were fit over the range 10 to 3000 K using two NASA polynomials in the standard CHEMKIN II format. High-pressure-limit kinetics used canonical transition state theory with 1-D Eckart tunneling corrections. Unlike the thermodynamic calculations, atom and bond corrections were not applied when determining kinetic parameters. Twenty data points from 180 to 1500 K were fit to the modified Arrhenius form (k = AT n exp(-E a /RT )).