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 P₂H₄ (Diphosphine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K	x
	Energy 0K		295
	Energy 298.15K		283
	Atomization Enthalpy 298.15K		220
	Atomization Enthalpy 0K	x	225	x
	Entropy (298.15K)		209
	Entropy at any temperature		209
	Integrated Heat Capacity		209
	Heat Capacity (Cp)		209
	Nuclear Repulsion Energy		251
	HOMO-LUMO Energies		249
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	226
	Internal Coordinates	x	225	x
	Products of moments of inertia		235
	Rotational Constants		240
	Point Group		242
Vibrations	Vibrational Frequencies	fun.	234	x
	Vibrational Intensities		236
	Zero-point energies	x	234	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		193
	Dipole		190
	Quadrupole		180
	Polarizability		178
Other results	Spin		0
	Number of basis functions		6
	Conformations		1