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 PO₄^--- (phosphate)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		233
	Energy 298.15K		172
	Atomization Enthalpy 298.15K		134
	Atomization Enthalpy 0K		134
	Entropy (298.15K)		163
	Entropy at any temperature		163
	Integrated Heat Capacity		163
	Heat Capacity (Cp)		163
	Nuclear Repulsion Energy		223
	HOMO-LUMO Energies		223
	Barriers to Internal Rotation		0
Geometries	Cartesians		223
	Internal Coordinates		222
	Products of moments of inertia		221
	Rotational Constants		224
	Point Group		227
Vibrations	Vibrational Frequencies		216
	Vibrational Intensities		219
	Zero-point energies		216
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		129
	Dipole		150
	Quadrupole		146
	Polarizability		153
Other results	Spin		0
	Number of basis functions		9
	Conformations		1