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

All data (experiment and calculated) in the CCCBDB for PH (phosphorus monohydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		572
	Energy 298.15K		274
	Atomization Enthalpy 298.15K	x	265	x
	Atomization Enthalpy 0K	x	458	x
	Entropy (298.15K)	x	249	x
	Entropy at any temperature		249
	Integrated Heat Capacity	x	249	x
	Heat Capacity (Cp)	x	249	x
	Nuclear Repulsion Energy		535
	HOMO-LUMO Energies		524
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	468
	Internal Coordinates	x	468	x
	Products of moments of inertia	x	501	x
	Rotational Constants	x	512	x
	Point Group		517
Vibrations	Vibrational Frequencies	x	466	x
	Vibrational Intensities		422
	Zero-point energies		466
	Vibrational scaling factors
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	283
Electrostatics	Atom charges		324
	Dipole		309
	Quadrupole		309
	Polarizability		294
Other results	Spin		169
	Number of basis functions		34
	Diagnostics		6
	Conformations		1