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

All data (experiment and calculated) in the CCCBDB for CH₃CH₂O (Ethoxy radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		300
	Energy 298.15K		7
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		299
	HOMO-LUMO Energies		299
	Barriers to Internal Rotation		11
Geometries	Cartesians		295
	Internal Coordinates	x	0	x
	Products of moments of inertia		279
	Rotational Constants		284
	Point Group		300
Vibrations	Vibrational Frequencies		284
	Vibrational Intensities		272
	Zero-point energies		284
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		184
	Dipole		184
	Quadrupole		185
	Polarizability		172
Other results	Spin		298
	Number of basis functions		30
	Diagnostics		5
	Conformations		1