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 AlS⁺ (aluminum monosulfide cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		275
	Energy 298.15K		246
	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		263
	HOMO-LUMO Energies		251
	Barriers to Internal Rotation		0
Geometries	Cartesians		260
	Internal Coordinates		262
	Products of moments of inertia		245
	Rotational Constants		249
	Point Group		267
Vibrations	Vibrational Frequencies		249
	Vibrational Intensities		244
	Zero-point energies		249
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		152
	Dipole		165
	Quadrupole		160
	Polarizability		156
Other results	Spin		0
	Number of basis functions		49
	Conformations		1