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

All data (experiment and calculated) in the CCCBDB for H₂F₂ (Hydrogen fluoride dimer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		144
	Energy 298.15K		85
	Atomization Enthalpy 298.15K	x	85	x
	Atomization Enthalpy 0K	x	145	x
	Entropy (298.15K)	x	51	x
	Entropy at any temperature		51
	Integrated Heat Capacity	x	51	x
	Heat Capacity (Cp)	x	48	x
	Nuclear Repulsion Energy		38
	HOMO-LUMO Energies		117
	Barriers to Internal Rotation		0
Geometries	Cartesians		29
	Internal Coordinates	x	0	x
	Products of moments of inertia		82
	Rotational Constants		84
	Point Group		111
Vibrations	Vibrational Frequencies		35
	Vibrational Intensities		35
	Zero-point energies		35
	Vibrational scaling factors
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		98
	Dipole		81
	Quadrupole		37
	Polarizability		38
Other results	Spin		0
	Number of basis functions		9
	Diagnostics		0
	Conformations		1