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

All data (experiment and calculated) in the CCCBDB for CH₄ (Methane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		336
	Energy 298.15K		307
	Atomization Enthalpy 298.15K	x	301	x
	Atomization Enthalpy 0K	x	302	x
	Entropy (298.15K)	x	260	x
	Entropy at any temperature		260
	Integrated Heat Capacity	x	260	x
	Heat Capacity (Cp)	x	260	x
	Nuclear Repulsion Energy		290
	HOMO-LUMO Energies		274
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	242
	Internal Coordinates	x	242	x
	Products of moments of inertia	x	265	x
	Rotational Constants	x	269	x
	Point Group		270
Vibrations	Vibrational Frequencies	x	269	x
	Vibrational Intensities		229
	Zero-point energies	x	269	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		179
	Dipole	x	170	x
	Quadrupole		165
	Polarizability	x	155	x
Other results	Spin		6
	Number of basis functions		34
	Diagnostics		6
	Conformations		1