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 HPO (Hydrogen phosphorus oxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		293
	Energy 298.15K		280
	Atomization Enthalpy 298.15K	x	216	x
	Atomization Enthalpy 0K	x	221	x
	Entropy (298.15K)	x	206	x
	Entropy at any temperature		206
	Integrated Heat Capacity	x	206	x
	Heat Capacity (Cp)	x	206	x
	Nuclear Repulsion Energy		249
	HOMO-LUMO Energies		244
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	226
	Internal Coordinates	x	225	x
	Products of moments of inertia	x	233	x
	Rotational Constants	x	238	x
	Point Group		239
Vibrations	Vibrational Frequencies	fun.	233	x
	Vibrational Intensities		237
	Zero-point energies	x	233	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		185
	Dipole		187
	Quadrupole		177
	Polarizability		176
Other results	Spin		10
	Number of basis functions		33
	Conformations		1