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 SCN^- (thiocyanide anion)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		223
	Energy 298.15K		211
	Atomization Enthalpy 298.15K		142
	Atomization Enthalpy 0K		142
	Entropy (298.15K)		169
	Entropy at any temperature		169
	Integrated Heat Capacity		169
	Heat Capacity (Cp)		169
	Nuclear Repulsion Energy		212
	HOMO-LUMO Energies		215
	Barriers to Internal Rotation		0
Geometries	Cartesians		215
	Internal Coordinates		214
	Products of moments of inertia		208
	Rotational Constants		214
	Point Group		216
Vibrations	Vibrational Frequencies		213
	Vibrational Intensities		211
	Zero-point energies		213
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		130
	Dipole		140
	Quadrupole		135
	Polarizability		140
Other results	Spin		3
	Number of basis functions		7
	Conformations		1