I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for PH₂ (Phosphino radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		287
	Energy 298.15K		263
	Atomization Enthalpy 298.15K	x	259	x
	Atomization Enthalpy 0K	x	269	x
	Entropy (298.15K)	x	247	x
	Entropy at any temperature		247
	Integrated Heat Capacity	x	247	x
	Heat Capacity (Cp)	x	247	x
	Nuclear Repulsion Energy		248
	HOMO-LUMO Energies		239
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	222
	Internal Coordinates	x	222	x
	Products of moments of inertia	x	225	x
	Rotational Constants	x	229	x
	Point Group		230
Vibrations	Vibrational Frequencies	x	229	x
	Vibrational Intensities		205
	Zero-point energies		229
	Vibrational scaling factors
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole		153
	Quadrupole		156
	Polarizability		140
Other results	Spin		149
	Number of basis functions		32
	Diagnostics		6
	Conformations		1