Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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HF vs MP2 Bad vib. Calc. vs exp. 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All data (experiment and calculated) in the CCCBDB for HF (Hydrogen fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1066
	Energy 298.15K		742
	Atomization Enthalpy 298.15K	x	52	x
	Atomization Enthalpy 0K	x	54	x
	Entropy (298.15K)	x	16	x
	Entropy at any temperature		16
	Integrated Heat Capacity	x	16	x
	Heat Capacity (Cp)	x	16	x
	Nuclear Repulsion Energy		1033
	HOMO-LUMO Energies		942
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	984
	Internal Coordinates	x	984	x
	Products of moments of inertia	x	994	x
	Rotational Constants	x	1004	x
	Point Group		1032
Vibrations	Vibrational Frequencies	fun. har.	1002	x
	Vibrational Intensities		1198
	Zero-point energies	x	1002	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		190
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		503
	Dipole	x	634	x
	Quadrupole	x	554	x
	Polarizability	x	580	x
Other results	Spin		8
	Number of basis functions		109
	Conformations		1