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

All data (experiment and calculated) in the CCCBDB for HOCl (hypochlorous acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		329
	Energy 298.15K		240
	Atomization Enthalpy 298.15K	x	234	x
	Atomization Enthalpy 0K	x	245	x
	Entropy (298.15K)	x	224	x
	Entropy at any temperature		224
	Integrated Heat Capacity	x	224	x
	Heat Capacity (Cp)	x	224	x
	Nuclear Repulsion Energy		294
	HOMO-LUMO Energies		283
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	265
	Internal Coordinates	x	265	x
	Products of moments of inertia	x	272	x
	Rotational Constants	x	276	x
	Point Group		276
Vibrations	Vibrational Frequencies	x	276	x
	Vibrational Intensities		246
	Zero-point energies	x	276	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole	x	191	x
	Quadrupole		185
	Polarizability		178
Other results	Spin		0
	Number of basis functions		32
	Diagnostics		6
	Conformations		1