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 ScF (Scandium monofluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		465
	Energy 298.15K		447
	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		460
	HOMO-LUMO Energies		408
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	465
	Internal Coordinates	x	465	x
	Products of moments of inertia	x	461	x
	Rotational Constants	x	463	x
	Point Group		468
Vibrations	Vibrational Frequencies	fun. har.	462	x
	Vibrational Intensities		411
	Zero-point energies	x	462	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	32
Electrostatics	Atom charges		283
	Dipole		370
	Quadrupole		311
	Polarizability		304
Other results	Spin		32
	Number of basis functions		23
	Conformations		1