Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for XeF₂ (Xenon difluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		184
	Energy 298.15K		1
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		191
	HOMO-LUMO Energies		166
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	191
	Internal Coordinates	x	191	x
	Products of moments of inertia	x	185	x
	Rotational Constants	x	186	x
	Point Group		192
Vibrations	Vibrational Frequencies	fun.	186	x
	Vibrational Intensities		166
	Zero-point energies	x	186	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		126
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		109
	Dipole		150
	Quadrupole		124
	Polarizability		126
Other results	Spin		0
	Number of basis functions		11
	Conformations		1