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

All data (experiment and calculated) in the CCCBDB for CF₂Cl₂ (difluorodichloromethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		220
	Energy 298.15K		183
	Atomization Enthalpy 298.15K	x	178	x
	Atomization Enthalpy 0K	x	187	x
	Entropy (298.15K)	x	180	x
	Entropy at any temperature		180
	Integrated Heat Capacity	x	180	x
	Heat Capacity (Cp)	x	180	x
	Nuclear Repulsion Energy		199
	HOMO-LUMO Energies		191
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	183
	Internal Coordinates	x	183	x
	Products of moments of inertia	x	190	x
	Rotational Constants	x	194	x
	Point Group		196
Vibrations	Vibrational Frequencies	x	193	x
	Vibrational Intensities	x	188	x
	Zero-point energies	x	193	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		150
	Dipole	x	154	x
	Quadrupole		150
	Polarizability	x	133	x
Other results	Spin		0
	Number of basis functions		26
	Diagnostics		5
	Conformations		1