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 AsF₅ (Arsenic pentafluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		257
	Energy 298.15K		245
	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		248
	HOMO-LUMO Energies		250
	Barriers to Internal Rotation		0
Geometries	Cartesians		250
	Internal Coordinates	x	249	x
	Products of moments of inertia		244
	Rotational Constants		248
	Point Group		252
Vibrations	Vibrational Frequencies	fun.	245	x
	Vibrational Intensities		240
	Zero-point energies	x	245	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		161
	Dipole		163
	Quadrupole		158
	Polarizability		166
Other results	Spin		0
	Number of basis functions		8
	Conformations		1