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

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		292
	Energy 298.15K		274
	Atomization Enthalpy 298.15K	x	267	x
	Atomization Enthalpy 0K	x	273	x
	Entropy (298.15K)	x	257	x
	Entropy at any temperature		257
	Integrated Heat Capacity	x	257	x
	Heat Capacity (Cp)	x	257	x
	Nuclear Repulsion Energy		254
	HOMO-LUMO Energies		244
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	228
	Internal Coordinates	x	228	x
	Products of moments of inertia	x	233	x
	Rotational Constants	x	237	x
	Point Group		238
Vibrations	Vibrational Frequencies	x	236	x
	Vibrational Intensities		205
	Zero-point energies	x	236	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		165
	Dipole	x	157	x
	Quadrupole	x	151	x
	Polarizability		144
Other results	Spin		12
	Number of basis functions		35
	Diagnostics		6
	Conformations		1