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

All data (experiment and calculated) in the CCCBDB for SO (Sulfur monoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		555
	Energy 298.15K		297
	Atomization Enthalpy 298.15K	x	281	x
	Atomization Enthalpy 0K	x	468	x
	Entropy (298.15K)	x	271	x
	Entropy at any temperature		271
	Integrated Heat Capacity	x	271	x
	Heat Capacity (Cp)	x	271	x
	Nuclear Repulsion Energy		515
	HOMO-LUMO Energies		479
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	467
	Internal Coordinates	x	467	x
	Products of moments of inertia	x	484	x
	Rotational Constants	x	495	x
	Point Group		500
Vibrations	Vibrational Frequencies	x	491	x
	Vibrational Intensities		442
	Zero-point energies	x	491	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	233
Electrostatics	Atom charges		322
	Dipole	x	301	x
	Quadrupole		303
	Polarizability		287
Other results	Spin		220
	Number of basis functions		36
	Diagnostics		6
	Conformations		1