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 PH₃ (Phosphine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		702
	Energy 298.15K		631
	Atomization Enthalpy 298.15K	x	22	x
	Atomization Enthalpy 0K	x	22	x
	Entropy (298.15K)	x	16	x
	Entropy at any temperature		16
	Integrated Heat Capacity	x	16	x
	Heat Capacity (Cp)	x	16	x
	Nuclear Repulsion Energy		777
	HOMO-LUMO Energies		643
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	752
	Internal Coordinates	x	752	x
	Products of moments of inertia	x	744	x
	Rotational Constants	x	754	x
	Point Group		782
Vibrations	Vibrational Frequencies	fun.	751	x
	Vibrational Intensities		1225
	Zero-point energies	x	751	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		439
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		418
	Dipole	x	544	x
	Quadrupole	x	474	x
	Polarizability	x	499	x
Other results	Spin		1
	Number of basis functions		48
	Conformations		1