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 PSe (Phosphorus monoselenide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		543
	Energy 298.15K		518
	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		521
	HOMO-LUMO Energies		475
	Barriers to Internal Rotation		0
Geometries	Cartesians		536
	Internal Coordinates		536
	Products of moments of inertia		529
	Rotational Constants		536
	Point Group		544
Vibrations	Vibrational Frequencies		536
	Vibrational Intensities		480
	Zero-point energies		536
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		330
	Dipole		435
	Quadrupole		358
	Polarizability		321
Other results	Spin		543
	Number of basis functions		29
	Conformations		1