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

All data (experiment and calculated) in the CCCBDB for SF₆ (Sulfur Hexafluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		210
	Energy 298.15K		196
	Atomization Enthalpy 298.15K	x	187	x
	Atomization Enthalpy 0K	x	189	x
	Entropy (298.15K)	x	193	x
	Entropy at any temperature		193
	Integrated Heat Capacity	x	193	x
	Heat Capacity (Cp)	x	193	x
	Nuclear Repulsion Energy		194
	HOMO-LUMO Energies		188
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	187
	Internal Coordinates	x	187	x
	Products of moments of inertia	x	193	x
	Rotational Constants	x	197	x
	Point Group		197
Vibrations	Vibrational Frequencies	x	195	x
	Vibrational Intensities		193
	Zero-point energies	x	195	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		162
	Dipole	x	161	x
	Quadrupole		158
	Polarizability		165
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1