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

All data (experiment and calculated) in the CCCBDB for SF₄ (Sulfur tetrafluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		223
	Energy 298.15K		206
	Atomization Enthalpy 298.15K	x	178	x
	Atomization Enthalpy 0K	x	183	x
	Entropy (298.15K)	x	202	x
	Entropy at any temperature		202
	Integrated Heat Capacity	x	202	x
	Heat Capacity (Cp)	x	202	x
	Nuclear Repulsion Energy		216
	HOMO-LUMO Energies		215
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	218
	Internal Coordinates	x	218	x
	Products of moments of inertia	x	212	x
	Rotational Constants	x	216	x
	Point Group		218
Vibrations	Vibrational Frequencies	x	216	x
	Vibrational Intensities		209
	Zero-point energies	x	216	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		130
	Dipole	x	129	x
	Quadrupole	x	126	x
	Polarizability		130
Other results	Spin		0
	Number of basis functions		28
	Diagnostics		5
	Conformations		1