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 AlF (Aluminum monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		704
	Energy 298.15K		70
	Atomization Enthalpy 298.15K	x	43	x
	Atomization Enthalpy 0K	x	50	x
	Entropy (298.15K)	x	38	x
	Entropy at any temperature		38
	Integrated Heat Capacity	x	38	x
	Heat Capacity (Cp)	x	38	x
	Nuclear Repulsion Energy		681
	HOMO-LUMO Energies		591
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	654
	Internal Coordinates	x	654	x
	Products of moments of inertia	x	646	x
	Rotational Constants	x	656	x
	Point Group		683
Vibrations	Vibrational Frequencies	fun. har.	654	x
	Vibrational Intensities		823
	Zero-point energies	x	654	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		423
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		398
	Dipole	x	538	x
	Quadrupole		459
	Polarizability		454
Other results	Spin		1
	Number of basis functions		98
	Conformations		1