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

All data (experiment and calculated) in the CCCBDB for CH₃OH (Methyl alcohol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		292
	Energy 298.15K		261
	Atomization Enthalpy 298.15K	x	256	x
	Atomization Enthalpy 0K	x	259	x
	Entropy (298.15K)	x	224	x
	Entropy at any temperature		224
	Integrated Heat Capacity	x	223	x
	Heat Capacity (Cp)	x	223	x
	Nuclear Repulsion Energy		235
	HOMO-LUMO Energies		224
	Barriers to Internal Rotation	x	16	x
Geometries	Cartesians	x	195
	Internal Coordinates	x	195	x
	Products of moments of inertia	x	209	x
	Rotational Constants	x	214	x
	Point Group		215
Vibrations	Vibrational Frequencies	x	213	x
	Vibrational Intensities		200
	Zero-point energies	x	213	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		175
	Dipole	x	165	x
	Quadrupole		160
	Polarizability	x	151	x
Other results	Spin		11
	Number of basis functions		31
	Diagnostics		6
	Conformations		1