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

All data (experiment and calculated) in the CCCBDB for HCl (Hydrogen chloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		322
	Energy 298.15K		279
	Atomization Enthalpy 298.15K	x	270	x
	Atomization Enthalpy 0K	x	278	x
	Entropy (298.15K)	x	262	x
	Entropy at any temperature		262
	Integrated Heat Capacity	x	262	x
	Heat Capacity (Cp)	x	262	x
	Nuclear Repulsion Energy		285
	HOMO-LUMO Energies		261
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	259
	Internal Coordinates	x	259	x
	Products of moments of inertia	x	262	x
	Rotational Constants	x	266	x
	Point Group		268
Vibrations	Vibrational Frequencies	x	266	x
	Vibrational Intensities	x	226	x
	Zero-point energies	x	266	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		177
	Dipole	x	170	x
	Quadrupole	x	164	x
	Polarizability	x	152	x
Other results	Spin		16
	Number of basis functions		35
	Diagnostics		6
	Conformations		1