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

All data (experiment and calculated) in the CCCBDB for DCl (Hydrochloric acid-d)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		272
	Energy 298.15K		205
	Atomization Enthalpy 298.15K	x	202	x
	Atomization Enthalpy 0K	x	204	x
	Entropy (298.15K)	x	191	x
	Entropy at any temperature		191
	Integrated Heat Capacity	x	191	x
	Heat Capacity (Cp)	x	191	x
	Nuclear Repulsion Energy		238
	HOMO-LUMO Energies		235
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	218
	Internal Coordinates	x	218	x
	Products of moments of inertia	x	218	x
	Rotational Constants	x	222	x
	Point Group		223
Vibrations	Vibrational Frequencies	x	222	x
	Vibrational Intensities		199
	Zero-point energies	x	222	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		164
	Dipole		153
	Quadrupole		95
	Polarizability		138
Other results	Spin		0
	Number of basis functions		26
	Diagnostics		6
	Conformations		1