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

All data (experiment and calculated) in the CCCBDB for P₄ (Phosphorus tetramer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		239
	Energy 298.15K		209
	Atomization Enthalpy 298.15K	x	203	x
	Atomization Enthalpy 0K	x	217	x
	Entropy (298.15K)	x	196	x
	Entropy at any temperature		196
	Integrated Heat Capacity	x	196	x
	Heat Capacity (Cp)	x	196	x
	Nuclear Repulsion Energy		207
	HOMO-LUMO Energies		197
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	189
	Internal Coordinates	x	189	x
	Products of moments of inertia	x	195	x
	Rotational Constants	x	199	x
	Point Group		200
Vibrations	Vibrational Frequencies	x	198	x
	Vibrational Intensities		183
	Zero-point energies	x	198	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		149
	Dipole	x	148	x
	Quadrupole		143
	Polarizability		129
Other results	Spin		0
	Number of basis functions		28
	Diagnostics		5
	Conformations		1