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

All data (experiment and calculated) in the CCCBDB for CF₂ (Difluoromethylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		553
	Energy 298.15K		274
	Atomization Enthalpy 298.15K	x	259	x
	Atomization Enthalpy 0K	x	259	x
	Entropy (298.15K)	x	225	x
	Entropy at any temperature		225
	Integrated Heat Capacity	x	225	x
	Heat Capacity (Cp)	x	225	x
	Nuclear Repulsion Energy		518
	HOMO-LUMO Energies		508
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	472
	Internal Coordinates	x	472	x
	Products of moments of inertia	x	477	x
	Rotational Constants	x	489	x
	Point Group		501
Vibrations	Vibrational Frequencies	x	507	x
	Vibrational Intensities		455
	Zero-point energies	x	507	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	263
Electrostatics	Atom charges		313
	Dipole	x	302	x
	Quadrupole		298
	Polarizability		292
Other results	Spin		271
	Number of basis functions		35
	Diagnostics		5
	Conformations		1