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

All data (experiment and calculated) in the CCCBDB for PO (Phosphorus monoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		275
	Energy 298.15K		249
	Atomization Enthalpy 298.15K	x	243	x
	Atomization Enthalpy 0K	x	254	x
	Entropy (298.15K)	x	242	x
	Entropy at any temperature		242
	Integrated Heat Capacity	x	242	x
	Heat Capacity (Cp)	x	242	x
	Nuclear Repulsion Energy		250
	HOMO-LUMO Energies		207
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	215
	Internal Coordinates	x	215	x
	Products of moments of inertia	x	226	x
	Rotational Constants	x	232	x
	Point Group		235
Vibrations	Vibrational Frequencies	x	220	x
	Vibrational Intensities		200
	Zero-point energies	x	220	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		167
	Dipole		148
	Quadrupole		152
	Polarizability		135
Other results	Spin		218
	Number of basis functions		33
	Diagnostics		6
	Conformations		1