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 CH₂PH (Phosphaethene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K	x
	Energy 0K		513
	Energy 298.15K		483
	Atomization Enthalpy 298.15K		15
	Atomization Enthalpy 0K	x	20	x
	Entropy (298.15K)		11
	Entropy at any temperature		11
	Integrated Heat Capacity		11
	Heat Capacity (Cp)		11
	Nuclear Repulsion Energy		489
	HOMO-LUMO Energies		428
	Barriers to Internal Rotation		0
Geometries	Cartesians		479
	Internal Coordinates	x	478	x
	Products of moments of inertia	x	471	x
	Rotational Constants	x	480	x
	Point Group		495
Vibrations	Vibrational Frequencies		474
	Vibrational Intensities		586
	Zero-point energies		474
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		277
	Dipole	x	342	x
	Quadrupole		297
	Polarizability		335
Other results	Spin		0
	Number of basis functions		30
	Conformations		1