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

All data (experiment and calculated) in the CCCBDB for HOF (Hypofluorous acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		285
	Energy 298.15K		267
	Atomization Enthalpy 298.15K	x	261	x
	Atomization Enthalpy 0K	x	265	x
	Entropy (298.15K)	x	228	x
	Entropy at any temperature		228
	Integrated Heat Capacity	x	228	x
	Heat Capacity (Cp)	x	228	x
	Nuclear Repulsion Energy		241
	HOMO-LUMO Energies		227
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	198
	Internal Coordinates	x	198	x
	Products of moments of inertia	x	215	x
	Rotational Constants	x	219	x
	Point Group		219
Vibrations	Vibrational Frequencies	x	220	x
	Vibrational Intensities		200
	Zero-point energies	x	220	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		173
	Dipole	x	162	x
	Quadrupole		156
	Polarizability		148
Other results	Spin		0
	Number of basis functions		30
	Diagnostics		6
	Conformations		1