I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for CH₃O (Methoxy radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		258
	Energy 298.15K		236
	Atomization Enthalpy 298.15K	x	231	x
	Atomization Enthalpy 0K	x	245	x
	Entropy (298.15K)	x	203	x
	Entropy at any temperature		203
	Integrated Heat Capacity	x	203	x
	Heat Capacity (Cp)	x	203	x
	Nuclear Repulsion Energy		223
	HOMO-LUMO Energies		80
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	173
	Internal Coordinates	x	173	x
	Products of moments of inertia		186
	Rotational Constants	x	190	x
	Point Group		201
Vibrations	Vibrational Frequencies	x	187	x
	Vibrational Intensities		186
	Zero-point energies	x	187	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		173
	Dipole		154
	Quadrupole		158
	Polarizability		138
Other results	Spin		158
	Number of basis functions		28
	Diagnostics		6
	Conformations		1