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

All data (experiment and calculated) in the CCCBDB for CH₃OC₂H₅ (Ethane, methoxy-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		190
	Energy 298.15K		182
	Atomization Enthalpy 298.15K	x	177	x
	Atomization Enthalpy 0K	x	175	x
	Entropy (298.15K)	x	153	x
	Entropy at any temperature		153
	Integrated Heat Capacity	x	152	x
	Heat Capacity (Cp)	x	152	x
	Nuclear Repulsion Energy		164
	HOMO-LUMO Energies		145
	Barriers to Internal Rotation		0
Geometries	Cartesians		134
	Internal Coordinates	x	134	x
	Products of moments of inertia		147
	Rotational Constants		151
	Point Group		152
Vibrations	Vibrational Frequencies		151
	Vibrational Intensities		150
	Zero-point energies		151
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		133
	Dipole		130
	Quadrupole		75
	Polarizability		111
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1